#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s GLU 87 N 0.00 4.60 -0.24 1.43 0.41 -1.26 -4.93 118.70 118.71 3kqz s GLU 87 Ca 0.00 1.65 -0.19 0.00 -0.41 0.00 0.00 54.97 56.02 3kqz s GLU 87 Cb 0.00 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 3kqz s GLU 87 CO 0.00 0.07 0.56 0.08 -0.49 0.00 0.00 175.26 175.48 3kqz s VAL 88 N -0.03 5.05 0.30 2.63 1.01 -1.26 -5.02 120.40 123.08 3kqz s VAL 88 Ca 0.50 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 3kqz s VAL 88 Cb -0.28 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 3kqz s VAL 88 CO 0.33 0.10 1.22 -2.16 0.00 0.00 0.00 175.10 174.58 3kqz s PRO 89 N 2.14 4.48 0.11 2.72 0.04 -1.26 -4.95 135.00 138.28 3kqz s PRO 89 Ca 0.24 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.39 3kqz s PRO 89 Cb -0.16 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3kqz s PRO 89 CO 0.09 -0.02 -0.14 -0.65 0.04 0.00 0.00 177.00 176.32 3kqz s GLN 90 N -1.52 1.95 -0.13 4.56 -0.21 -1.26 -5.03 119.66 118.02 3kqz s GLN 90 Ca 0.48 -1.10 -0.21 0.00 0.02 0.00 0.00 55.36 54.55 3kqz s GLN 90 Cb -0.36 -2.21 -0.26 0.00 1.00 0.00 0.00 33.01 31.18 3kqz s GLN 90 CO 0.47 0.49 0.58 0.28 -2.12 0.00 0.00 175.29 174.99 3kqz h VAL 91 N 3.41 1.24 -2.92 1.09 2.07 -1.95 -3.48 116.25 115.71 3kqz h VAL 91 Ca -0.49 -2.36 -0.44 0.00 0.82 0.00 0.00 66.70 64.23 3kqz h VAL 91 Cb 1.17 2.83 -0.14 0.00 -1.52 0.00 0.00 31.29 33.62 3kqz h VAL 91 CO 0.49 0.60 -0.73 0.68 0.02 0.00 0.00 177.57 178.63 3kqz s VAL 92 N -2.39 1.68 -0.84 2.57 -7.23 -1.26 -5.03 120.40 107.89 3kqz s VAL 92 Ca -0.21 -2.19 0.15 0.00 -1.81 0.00 0.00 61.98 57.92 3kqz s VAL 92 Cb 0.03 -2.04 0.14 0.00 0.56 0.00 0.00 36.38 35.06 3kqz s VAL 92 CO 0.72 -0.60 1.47 -1.54 -0.31 0.00 0.00 175.10 174.84 3kqz n SER 93 N -0.37 0.18 -0.28 4.85 3.41 -1.26 -1.33 113.62 118.82 3kqz n SER 93 Ca -0.08 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.22 3kqz n SER 93 Cb 0.60 -0.59 0.54 0.00 -0.26 0.00 0.00 64.21 64.51 3kqz n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 94 N -1.71 0.97 -4.72 1.04 4.77 -1.26 -4.87 117.00 111.22 3kqz n LEU 94 Ca 0.02 -0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 3kqz n LEU 94 Cb 0.15 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3kqz n LEU 94 CO 0.13 0.17 1.00 -1.81 -1.33 0.00 0.00 177.39 175.55 3kqz s ASP 95 N -2.26 6.91 0.73 -1.43 1.01 -0.44 -4.99 116.67 116.20 3kqz s ASP 95 Ca 0.33 2.29 -0.15 0.00 0.71 0.00 0.00 52.55 55.72 3kqz s ASP 95 Cb 0.20 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.58 3kqz s ASP 95 CO 0.43 -0.56 1.24 -2.84 0.21 0.00 0.00 175.17 173.64 3kqz s PRO 96 N 0.66 2.06 0.00 8.23 0.02 -1.26 -4.93 135.00 139.78 3kqz s PRO 96 Ca 0.60 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3kqz s PRO 96 Cb -0.35 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3kqz s PRO 96 CO 0.33 -1.92 0.68 0.25 -0.33 0.00 0.00 177.00 176.01 3kqz n THR 97 N -2.69 0.47 -3.64 0.99 -2.24 -1.26 -4.87 114.28 101.04 3kqz n THR 97 Ca 0.14 -0.57 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 3kqz n THR 97 Cb 0.50 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 3kqz n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqz s SER 98 N -0.47 -0.22 -0.24 3.42 1.04 -1.26 -4.72 113.70 111.24 3kqz s SER 98 Ca 0.00 -0.31 -0.23 0.00 0.48 0.00 0.00 55.95 55.89 3kqz s SER 98 Cb 0.00 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 3kqz s SER 98 CO 0.00 -0.83 0.75 -0.63 0.98 0.00 0.00 173.24 173.50 3kqz s ILE 99 N -3.71 4.90 0.26 -1.02 1.01 -1.26 -4.87 121.20 116.50 3kqz s ILE 99 Ca 0.02 1.39 -0.30 0.00 0.00 0.00 0.00 60.65 61.77 3kqz s ILE 99 Cb 0.02 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3kqz s ILE 99 CO -0.11 -0.02 1.24 -2.16 0.00 0.00 0.00 174.94 173.88 3kqz s PRO 100 N 2.65 4.46 -0.09 2.79 0.04 -1.26 -5.00 135.00 138.58 3kqz s PRO 100 Ca 0.32 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3kqz s PRO 100 Cb -0.15 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.24 3kqz s PRO 100 CO 0.08 -0.09 -0.07 0.42 0.04 0.00 0.00 177.00 177.37 3kqz s ILE 101 N -0.59 0.93 -0.06 0.56 -1.09 -1.26 -4.98 121.20 114.71 3kqz s ILE 101 Ca 0.51 -0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 58.40 3kqz s ILE 101 Cb -0.36 -0.94 -0.03 0.00 -1.58 0.00 0.00 42.46 39.55 3kqz s ILE 101 CO 0.43 0.34 0.83 -1.61 -1.23 0.00 0.00 174.94 173.70 3kqz s GLU 102 N 1.45 4.46 -0.26 2.79 2.02 -1.26 -4.94 118.70 122.96 3kqz s GLU 102 Ca -0.01 1.10 -0.14 0.00 0.02 0.00 0.00 54.97 55.95 3kqz s GLU 102 Cb -0.13 -3.47 -0.11 0.00 0.10 0.00 0.00 34.13 30.52 3kqz s GLU 102 CO -0.05 -0.04 -0.34 0.66 0.02 0.00 0.00 175.26 175.51 3kqz n TYR 103 N 4.07 0.00 -2.71 1.61 4.02 -1.26 -4.85 117.16 118.04 3kqz n TYR 103 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.48 3kqz n TYR 103 Cb 0.51 -0.91 -0.03 0.00 -0.02 0.00 0.00 39.34 38.89 3kqz n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqz s ASN 104 N -7.25 6.56 0.29 7.72 0.02 -1.26 -5.03 114.94 115.99 3kqz s ASN 104 Ca -0.36 0.28 0.09 0.00 -1.02 0.00 0.00 52.86 51.84 3kqz s ASN 104 Cb 0.13 -2.50 -0.04 0.00 0.02 0.00 0.00 41.25 38.86 3kqz s ASN 104 CO 0.46 -1.16 0.09 0.42 0.02 0.00 0.00 177.10 176.93 3kqz s THR 105 N 4.13 3.46 -0.14 1.60 -4.23 -1.26 -4.99 115.64 114.22 3kqz s THR 105 Ca 0.42 -1.73 0.25 0.00 -1.18 0.00 0.00 61.69 59.45 3kqz s THR 105 Cb -0.09 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 71.02 3kqz s THR 105 CO 0.29 -0.30 1.77 -0.65 -0.54 0.00 0.00 174.62 175.19 3kqz h PRO 106 N 1.68 0.00 -0.34 3.99 0.11 -2.00 0.30 132.00 135.75 3kqz h PRO 106 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 3kqz h PRO 106 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3kqz h PRO 106 CO 0.61 0.00 -0.21 0.82 -0.21 0.00 0.00 178.00 179.01 3kqz h ILE 107 N 0.00 1.27 0.00 4.15 1.08 -1.94 -2.02 117.51 120.05 3kqz h ILE 107 Ca 0.00 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 3kqz h ILE 107 Cb 0.09 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 3kqz h ILE 107 CO 0.00 0.42 0.00 0.45 -0.69 0.00 0.00 178.15 178.33 3kqz h HIS 108 N 0.57 0.00 -0.03 1.37 3.86 -1.32 -1.78 115.15 117.82 3kqz h HIS 108 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3kqz h HIS 108 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 3kqz h HIS 108 CO 0.03 0.00 -0.01 -0.25 0.86 0.00 0.00 177.93 178.56 3kqz n ASP 109 N -2.39 2.65 -4.68 2.45 8.00 -0.76 -4.87 116.55 116.95 3kqz n ASP 109 Ca -0.00 -1.88 -0.43 0.00 0.71 0.00 0.00 54.79 53.19 3kqz n ASP 109 Cb 0.12 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 3kqz n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqz s ILE 110 N -2.01 4.69 -0.31 0.53 1.01 -0.67 -4.77 121.20 119.66 3kqz s ILE 110 Ca 0.30 1.98 -0.20 0.00 0.00 0.00 0.00 60.65 62.73 3kqz s ILE 110 Cb 0.20 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3kqz s ILE 110 CO 0.32 -0.06 0.64 -0.75 0.00 0.00 0.00 174.94 175.09 3kqz s LYS 111 N 2.44 3.87 -0.22 2.79 2.36 0.14 -4.89 119.74 126.23 3kqz s LYS 111 Ca 0.48 0.27 -0.10 0.00 -2.55 0.00 0.00 55.97 54.08 3kqz s LYS 111 Cb -0.18 -3.74 -0.05 0.00 -1.05 0.00 0.00 37.83 32.81 3kqz s LYS 111 CO 0.15 -0.60 0.13 0.08 1.55 0.00 0.00 175.35 176.65 3kqz s VAL 112 N 2.64 5.18 -0.09 4.02 1.01 -1.26 0.35 120.40 132.25 3kqz s VAL 112 Ca 0.25 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3kqz s VAL 112 Cb -0.15 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3kqz s VAL 112 CO 0.12 0.39 -0.23 -1.10 0.00 0.00 0.00 175.10 174.28 3kqz s GLN 113 N 0.80 2.86 -0.21 2.72 -1.52 0.34 -4.96 119.66 119.69 3kqz s GLN 113 Ca 0.07 -0.86 -0.06 0.00 -1.95 0.00 0.00 55.36 52.56 3kqz s GLN 113 Cb -0.13 -2.21 -0.03 0.00 -0.22 0.00 0.00 33.01 30.42 3kqz s GLN 113 CO 0.02 0.21 0.03 0.08 -0.25 0.00 0.00 175.29 175.38 3kqz s VAL 114 N 0.26 4.23 0.18 1.09 1.01 -1.26 -0.18 120.40 125.71 3kqz s VAL 114 Ca -0.16 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.71 3kqz s VAL 114 Cb -0.17 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3kqz s VAL 114 CO 0.08 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 3kqz s TYR 115 N 1.00 2.39 0.28 5.22 1.51 0.19 -4.91 117.35 123.02 3kqz s TYR 115 Ca 0.03 -0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 55.47 3kqz s TYR 115 Cb -0.14 -1.20 -0.10 0.00 -0.11 0.00 0.00 41.96 40.41 3kqz s TYR 115 CO 0.02 0.47 1.08 0.34 -1.11 0.00 0.00 175.55 176.36 3kqz s ASP 116 N -2.58 7.29 0.20 2.29 -1.08 -1.26 -1.36 116.67 120.17 3kqz s ASP 116 Ca 0.21 2.24 -0.11 0.00 -0.52 0.00 0.00 52.55 54.37 3kqz s ASP 116 Cb -0.09 -2.62 0.13 0.00 -1.46 0.00 0.00 42.92 38.88 3kqz s ASP 116 CO 0.10 -0.12 1.82 0.40 0.52 0.00 0.00 175.17 177.90 3kqz h ILE 117 N 3.08 1.21 -3.44 4.11 2.04 -1.72 -3.43 117.51 119.36 3kqz h ILE 117 Ca -0.47 -0.50 -0.56 0.00 1.00 0.00 0.00 64.86 64.33 3kqz h ILE 117 Cb 1.21 0.27 0.11 0.00 -0.74 0.00 0.00 36.82 37.67 3kqz h ILE 117 CO 0.67 0.23 0.55 0.29 0.00 0.00 0.00 178.15 179.88 3kqz n LYS 118 N -4.51 2.19 0.00 2.37 5.02 -1.26 -0.07 118.16 121.89 3kqz n LYS 118 Ca 0.06 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3kqz n LYS 118 Cb 0.07 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 3kqz n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 119 N 0.72 2.73 0.00 0.72 0.00 -1.26 -4.97 105.19 103.13 3kqz n GLY 119 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kqz n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 120 N -0.71 -0.88 3.88 -0.02 0.00 0.90 -4.93 105.19 103.42 3kqz n GLY 120 Ca 0.00 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N -1.13 6.80 -0.31 0.00 0.01 -1.26 0.03 114.94 119.09 3kqz s ASN 122 Ca 0.16 0.96 0.02 0.00 -0.71 0.00 0.00 52.86 53.29 3kqz s ASN 122 Cb -0.12 -2.29 0.09 0.00 0.41 0.00 0.00 41.25 39.34 3kqz s ASN 122 CO 0.06 0.16 0.03 -0.69 -1.51 0.00 0.00 177.10 175.14 3kqz s VAL 123 N -0.26 1.79 0.00 1.60 1.01 -1.26 -4.93 120.40 118.35 3kqz s VAL 123 Ca 0.26 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.40 3kqz s VAL 123 Cb -0.17 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3kqz s VAL 123 CO 0.13 -0.47 0.00 -0.62 0.00 0.00 0.00 175.10 174.14 3kqz n GLU 124 N 4.49 2.48 -3.75 2.72 -0.58 -1.26 -4.90 120.64 119.84 3kqz n GLU 124 Ca -0.02 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.63 3kqz n GLU 124 Cb 0.42 -0.86 -0.04 0.00 -0.57 0.00 0.00 31.44 30.40 3kqz n GLU 124 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3kqz s GLU 125 N -1.63 1.43 3.20 3.49 1.03 -1.26 -4.88 118.70 120.08 3kqz s GLU 125 Ca 0.00 -0.89 0.00 0.00 0.03 0.00 0.00 54.97 54.11 3kqz s GLU 125 Cb 0.00 0.53 0.00 0.00 -0.80 0.00 0.00 34.13 33.86 3kqz s GLU 125 CO 0.00 -0.61 0.00 0.41 -1.33 0.00 0.00 175.26 173.73 3kqz n GLY 126 N -0.36 2.06 3.42 -3.83 0.00 -1.26 -4.58 105.19 100.64 3kqz n GLY 126 Ca -0.09 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3kqz n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqz s LEU 127 N 0.00 3.04 -0.20 0.99 2.96 -0.26 -1.07 118.68 124.13 3kqz s LEU 127 Ca 0.00 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 3kqz s LEU 127 Cb 0.00 -1.73 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 3kqz s LEU 127 CO 0.00 0.12 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.16 3kqz s THR 128 N 0.66 2.97 -0.12 3.68 2.01 0.20 -0.14 115.64 124.90 3kqz s THR 128 Ca -0.03 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3kqz s THR 128 Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.05 3kqz s THR 128 CO 0.02 0.47 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.57 3kqz s ILE 129 N 1.32 2.20 -0.18 1.82 -1.09 0.13 -0.74 121.20 124.66 3kqz s ILE 129 Ca 0.04 -0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 57.36 3kqz s ILE 129 Cb -0.14 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 3kqz s ILE 129 CO -0.05 0.55 0.32 -0.36 -1.23 0.00 0.00 174.94 174.17 3kqz s PHE 130 N 0.50 3.41 -0.51 3.97 0.40 0.03 0.09 117.98 125.86 3kqz s PHE 130 Ca -0.14 0.56 -0.22 0.00 -0.60 0.00 0.00 56.93 56.53 3kqz s PHE 130 Cb -0.17 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 41.00 3kqz s PHE 130 CO 0.05 0.13 0.79 -0.51 0.70 0.00 0.00 175.22 176.38 3kqz s LEU 131 N 0.84 4.43 -0.03 -0.37 1.43 -0.19 -1.54 118.68 123.25 3kqz s LEU 131 Ca 0.16 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3kqz s LEU 131 Cb -0.14 -2.73 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 3kqz s LEU 131 CO 0.05 -1.03 -0.19 -0.69 0.23 0.00 0.00 176.35 174.73 3kqz s VAL 132 N 3.33 1.54 0.51 -1.59 1.01 -1.10 -1.99 120.40 122.11 3kqz s VAL 132 Ca 0.25 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3kqz s VAL 132 Cb -0.15 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3kqz s VAL 132 CO 0.18 0.44 0.00 0.54 0.00 0.00 0.00 175.10 176.26 3kqz s ASN 133 N -0.20 4.11 -0.37 3.32 2.20 -1.26 -0.43 114.94 122.30 3kqz s ASN 133 Ca 0.01 -1.67 0.02 0.00 -0.94 0.00 0.00 52.86 50.28 3kqz s ASN 133 Cb -0.10 0.58 0.15 0.00 -2.00 0.00 0.00 41.25 39.88 3kqz s ASN 133 CO 0.01 -0.88 0.34 0.21 -2.94 0.00 0.00 177.10 173.84 3kqz s ASN 134 N -3.88 1.60 0.00 3.54 3.84 -0.40 -4.73 114.94 114.91 3kqz s ASN 134 Ca 0.04 -1.89 -0.00 0.00 0.21 0.00 0.00 52.86 51.22 3kqz s ASN 134 Cb 0.01 0.26 -0.00 0.00 -0.55 0.00 0.00 41.25 40.96 3kqz s ASN 134 CO 0.02 -0.26 0.44 -2.65 -2.79 0.00 0.00 177.10 171.87 3kqz n PRO 135 N 4.02 0.21 0.00 0.43 -0.02 -1.26 -4.41 135.00 133.97 3kqz n PRO 135 Ca 0.13 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3kqz n PRO 135 Cb 0.43 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3kqz n PRO 135 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kqz n LYS 137 N 1.94 0.00 -1.63 -0.52 4.01 -1.26 -4.89 118.16 115.81 3kqz n LYS 137 Ca 0.00 0.00 -0.55 0.00 -0.51 0.00 0.00 58.31 57.26 3kqz n LYS 137 Cb 0.11 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.56 3kqz n LYS 137 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3kqz n GLU 138 N 0.00 1.22 -1.89 1.97 4.71 -1.26 0.61 120.64 126.00 3kqz n GLU 138 Ca 0.00 0.42 -0.20 0.00 -0.01 0.00 0.00 57.16 57.37 3kqz n GLU 138 Cb 0.00 -2.23 -0.06 0.00 -1.01 0.00 0.00 31.44 28.14 3kqz n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kqz n ASN 139 N 6.72 -5.52 -4.56 1.62 3.02 -1.26 -4.98 115.26 110.30 3kqz n ASN 139 Ca 0.31 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.85 3kqz n ASN 139 Cb 0.17 -4.68 0.19 0.00 -0.61 0.00 0.00 39.78 34.85 3kqz n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kqz n GLY 140 N -0.72 -1.17 3.77 7.41 0.00 0.20 -4.54 105.19 110.14 3kqz n GLY 140 Ca -0.21 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 3kqz n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqz s PRO 141 N -4.40 2.94 -0.03 1.61 0.04 -1.26 -1.17 135.00 132.74 3kqz s PRO 141 Ca 0.66 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 3kqz s PRO 141 Cb -0.23 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3kqz s PRO 141 CO 0.62 -1.16 1.17 0.08 0.04 0.00 0.00 177.00 177.75 3kqz s VAL 142 N -2.12 4.30 -0.15 -0.36 1.01 -0.57 -4.68 120.40 117.83 3kqz s VAL 142 Ca 0.70 1.63 0.01 0.00 0.00 0.00 0.00 61.98 64.31 3kqz s VAL 142 Cb -0.22 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3kqz s VAL 142 CO 0.37 0.04 -0.17 -0.54 0.00 0.00 0.00 175.10 174.80 3kqz s LYS 143 N 1.83 3.15 -0.22 2.72 3.01 -1.26 -3.78 119.74 125.19 3kqz s LYS 143 Ca 0.56 -0.78 -0.21 0.00 -1.01 0.00 0.00 55.97 54.53 3kqz s LYS 143 Cb -0.25 -2.58 -0.02 0.00 -1.01 0.00 0.00 37.83 33.97 3kqz s LYS 143 CO 0.24 -0.02 0.63 0.42 0.51 0.00 0.00 175.35 177.13 3kqz s ILE 144 N 0.87 5.00 -0.15 2.17 -1.09 -1.26 -4.91 121.20 121.84 3kqz s ILE 144 Ca -0.05 1.16 -0.19 0.00 -2.23 0.00 0.00 60.65 59.34 3kqz s ILE 144 Cb -0.15 -3.94 -0.24 0.00 -1.58 0.00 0.00 42.46 36.55 3kqz s ILE 144 CO -0.02 0.07 0.44 0.28 -1.23 0.00 0.00 174.94 174.48 3kqz h SER 145 N 7.67 0.19 -2.67 3.58 0.02 -1.97 -3.47 113.55 116.91 3kqz h SER 145 Ca -0.29 -0.75 -0.59 0.00 -0.84 0.00 0.00 61.79 59.32 3kqz h SER 145 Cb 1.13 -0.06 0.09 0.00 0.14 0.00 0.00 62.40 63.70 3kqz h SER 145 CO 0.77 1.52 0.55 -1.20 -1.14 0.00 0.00 176.83 177.33 3kqz n SER 146 N -4.16 2.56 -4.69 3.07 7.64 -1.26 -4.97 113.62 111.80 3kqz n SER 146 Ca -0.26 1.15 -0.43 0.00 1.01 0.00 0.00 58.87 60.34 3kqz n SER 146 Cb 0.78 -1.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 3kqz n SER 146 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3kqz n LYS 147 N 1.78 2.13 -4.49 1.43 3.00 -1.26 -4.95 118.16 115.80 3kqz n LYS 147 Ca 0.11 0.75 -0.27 0.00 -0.00 0.00 0.00 58.31 58.90 3kqz n LYS 147 Cb 0.31 -2.36 -0.17 0.00 0.00 0.00 0.00 35.03 32.82 3kqz n LYS 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3kqz s VAL 148 N -0.75 1.34 0.00 3.15 1.01 -1.26 -0.85 120.40 123.04 3kqz s VAL 148 Ca 0.59 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 3kqz s VAL 148 Cb -0.59 -1.23 -0.25 0.00 0.00 0.00 0.00 36.38 34.31 3kqz s VAL 148 CO 0.58 0.41 3.42 0.59 0.00 0.00 0.00 175.10 180.10 3kqz n ASN 149 N 4.10 4.96 -3.43 3.32 3.02 0.10 -4.68 115.26 122.66 3kqz n ASN 149 Ca -0.20 -2.42 -0.15 0.00 -0.03 0.00 0.00 54.58 51.78 3kqz n ASN 149 Cb 0.51 -1.34 -0.11 0.00 -0.61 0.00 0.00 39.78 38.24 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kqz s ASP 150 N 2.05 0.99 0.27 6.41 2.15 -1.26 -4.79 116.67 122.49 3kqz s ASP 150 Ca 0.62 -0.13 -0.00 0.00 0.43 0.00 0.00 52.55 53.46 3kqz s ASP 150 Cb 0.29 0.67 0.53 0.00 -0.30 0.00 0.00 42.92 44.12 3kqz s ASP 150 CO 0.00 -0.33 1.80 0.11 -0.17 0.00 0.00 175.17 176.58 3kqz h LYS 151 N 8.26 0.76 0.00 4.34 1.57 -1.98 0.88 116.57 130.41 3kqz h LYS 151 Ca -0.17 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3kqz h LYS 151 Cb 1.14 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3kqz h LYS 151 CO 0.29 0.51 -0.00 1.96 -0.57 0.00 0.00 179.45 181.63 3kqz h GLN 152 N 0.79 -0.01 -0.38 3.15 1.08 -1.91 -2.29 115.11 115.54 3kqz h GLN 152 Ca 0.47 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.51 3kqz h GLN 152 Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 3kqz h GLN 152 CO -0.31 0.43 -0.39 0.28 -0.95 0.00 0.00 178.83 177.89 3kqz h VAL 153 N -0.45 1.27 -0.75 -0.54 2.07 -1.77 -2.44 116.25 113.65 3kqz h VAL 153 Ca -0.00 -1.57 0.11 0.00 0.82 0.00 0.00 66.70 66.06 3kqz h VAL 153 Cb 0.44 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3kqz h VAL 153 CO 0.00 0.52 0.37 0.28 0.02 0.00 0.00 177.57 178.77 3kqz h SER 154 N 0.76 0.47 0.67 0.57 0.02 0.76 0.22 113.55 117.01 3kqz h SER 154 Ca 0.06 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3kqz h SER 154 Cb 0.98 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3kqz h SER 154 CO 0.10 0.25 -0.49 -0.08 -1.14 0.00 0.00 176.83 175.46 3kqz h GLU 155 N 0.60 -1.07 -0.85 3.45 4.57 -1.21 -0.42 114.58 119.66 3kqz h GLU 155 Ca 0.38 0.07 0.23 0.00 -1.18 0.00 0.00 59.36 58.87 3kqz h GLU 155 Cb 0.45 0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 3kqz h GLU 155 CO -0.30 -0.71 0.60 0.35 -1.18 0.00 0.00 179.01 177.77 3kqz h PHE 156 N -1.11 0.12 -0.14 0.92 3.57 -0.82 -0.81 116.94 118.67 3kqz h PHE 156 Ca -0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3kqz h PHE 156 Cb 0.92 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3kqz h PHE 156 CO -0.16 0.03 0.00 1.28 -2.23 0.00 0.00 178.31 177.23 3kqz n LEU 157 N -4.34 2.47 -4.61 0.59 4.77 0.67 -4.47 117.00 112.09 3kqz n LEU 157 Ca 0.18 -0.93 -0.47 0.00 -0.03 0.00 0.00 56.01 54.75 3kqz n LEU 157 Cb 0.86 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.84 3kqz n LEU 157 CO 0.37 0.47 0.79 0.29 -1.33 0.00 0.00 177.39 177.97 3kqz n LYS 158 N 0.89 1.46 -0.36 3.23 4.76 -0.22 -4.49 118.16 123.43 3kqz n LYS 158 Ca 0.17 0.52 0.28 0.00 -2.87 0.00 0.00 58.31 56.41 3kqz n LYS 158 Cb 0.49 -2.05 0.54 0.00 -1.84 0.00 0.00 35.03 32.17 3kqz n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kqz h ASP 159 N 3.41 0.42 -0.45 4.39 3.32 -1.90 -0.40 116.42 125.20 3kqz h ASP 159 Ca -0.43 0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.88 3kqz h ASP 159 Cb 1.32 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.94 3kqz h ASP 159 CO 0.70 -0.16 0.03 -0.33 -1.72 0.00 0.00 179.24 177.76 3kqz h GLU 160 N 0.24 0.14 -0.01 3.56 3.07 -1.95 -2.15 114.58 117.47 3kqz h GLU 160 Ca 0.76 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 59.41 3kqz h GLU 160 Cb 1.95 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.82 3kqz h GLU 160 CO -0.55 0.09 -0.84 -0.97 -1.40 0.00 0.00 179.01 175.35 3kqz h ASN 161 N 0.14 0.32 1.80 1.42 -0.73 -1.38 -3.31 115.58 113.85 3kqz h ASN 161 Ca 0.23 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 58.15 3kqz h ASN 161 Cb 0.32 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.82 3kqz h ASN 161 CO -0.35 1.02 0.00 0.24 -0.37 0.00 0.00 177.43 177.97 3kqz h MET 162 N 0.15 0.00 -0.88 6.67 2.86 -1.23 -3.14 114.93 119.36 3kqz h MET 162 Ca -0.04 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3kqz h MET 162 Cb 1.44 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.05 3kqz h MET 162 CO 0.13 0.00 0.56 0.93 1.06 0.00 0.00 176.91 179.59 3kqz h GLU 163 N 0.00 1.02 -1.23 1.72 3.07 -1.47 -1.38 114.58 116.31 3kqz h GLU 163 Ca 0.00 -0.06 0.43 0.00 -0.50 0.00 0.00 59.36 59.23 3kqz h GLU 163 Cb 0.90 -0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 28.45 3kqz h GLU 163 CO 0.00 0.67 0.78 1.63 -1.40 0.00 0.00 179.01 180.70 3kqz n LYS 164 N -4.57 -0.03 -4.03 2.33 5.02 -1.19 -4.59 118.16 111.10 3kqz n LYS 164 Ca 0.12 1.13 -0.22 0.00 -2.02 0.00 0.00 58.31 57.32 3kqz n LYS 164 Cb 0.14 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 32.90 3kqz n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kqz s PHE 165 N -5.08 3.09 0.29 2.13 0.40 -0.52 -5.05 117.98 113.24 3kqz s PHE 165 Ca -0.07 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.18 3kqz s PHE 165 Cb 0.28 -1.50 -0.06 0.00 0.51 0.00 0.00 43.02 42.24 3kqz s PHE 165 CO 0.73 0.44 -0.03 0.54 0.70 0.00 0.00 175.22 177.60 3kqz s ASN 166 N -3.89 2.66 -0.06 1.36 6.03 -1.26 -1.51 114.94 118.26 3kqz s ASN 166 Ca 0.35 -1.24 0.21 0.00 -1.03 0.00 0.00 52.86 51.14 3kqz s ASN 166 Cb -0.08 -0.15 0.70 0.00 -3.03 0.00 0.00 41.25 38.70 3kqz s ASN 166 CO 0.26 -0.42 1.60 1.33 -2.03 0.00 0.00 177.10 177.84 3kqz n VAL 167 N -0.61 1.44 -1.60 3.54 0.24 -0.31 -4.67 118.33 116.35 3kqz n VAL 167 Ca -0.05 -1.10 -0.58 0.00 -2.04 0.00 0.00 64.34 60.57 3kqz n VAL 167 Cb 0.64 0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 33.25 3kqz n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqz n LYS 168 N 1.42 0.50 -1.71 7.34 4.81 -1.26 -0.23 118.16 129.03 3kqz n LYS 168 Ca 0.26 0.18 -0.59 0.00 -0.87 0.00 0.00 58.31 57.29 3kqz n LYS 168 Cb 0.77 -1.75 -0.08 0.00 0.02 0.00 0.00 35.03 33.99 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqz n LEU 169 N 2.82 2.16 0.00 3.14 -0.00 -1.26 -0.02 117.00 123.84 3kqz n LEU 169 Ca 0.22 1.07 0.00 0.00 -0.00 0.00 0.00 56.01 57.31 3kqz n LEU 169 Cb 0.09 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 3kqz n LEU 169 CO 0.70 -0.51 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 3kqz n GLY 170 N 4.28 2.30 3.76 -3.96 0.00 -0.30 -4.97 105.19 106.31 3kqz n GLY 170 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 3kqz n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqz s THR 171 N -2.31 2.37 0.05 2.61 2.01 0.97 -4.66 115.64 116.68 3kqz s THR 171 Ca 0.00 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 3kqz s THR 171 Cb 0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3kqz s THR 171 CO 0.00 0.01 0.07 -0.94 -0.69 0.00 0.00 174.62 173.07 3kqz s SER 172 N -0.95 0.25 0.02 3.53 1.04 -1.26 0.34 113.70 116.67 3kqz s SER 172 Ca 0.66 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 3kqz s SER 172 Cb -0.38 0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.98 3kqz s SER 172 CO 0.46 -0.55 0.23 -0.54 0.98 0.00 0.00 173.24 173.82 3kqz s LYS 173 N -3.06 0.66 -0.01 4.02 -0.14 -1.06 -5.01 119.74 115.14 3kqz s LYS 173 Ca -0.01 -0.45 -0.12 0.00 -1.36 0.00 0.00 55.97 54.03 3kqz s LYS 173 Cb 0.02 0.28 0.02 0.00 -1.68 0.00 0.00 37.83 36.46 3kqz s LYS 173 CO -0.07 -0.19 0.25 -3.38 -0.76 0.00 0.00 175.35 171.21 3kqz s HIS 174 N -1.98 -0.11 0.01 3.18 -3.43 -1.26 -1.55 115.29 110.15 3kqz s HIS 174 Ca -0.09 0.15 0.03 0.00 -0.80 0.00 0.00 55.06 54.35 3kqz s HIS 174 Cb -0.04 0.05 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 3kqz s HIS 174 CO -0.00 -0.35 -0.11 -0.06 -2.00 0.00 0.00 174.74 172.22 3kqz s PHE 175 N -1.31 0.95 0.25 0.38 0.40 0.39 -4.93 117.98 114.11 3kqz s PHE 175 Ca -0.14 -0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 55.77 3kqz s PHE 175 Cb -0.06 -0.59 -0.09 0.00 0.51 0.00 0.00 43.02 42.79 3kqz s PHE 175 CO 0.03 -0.01 0.75 0.71 0.70 0.00 0.00 175.22 177.40 3kqz s TYR 176 N -0.44 3.61 0.20 0.36 1.51 -1.26 -0.90 117.35 120.43 3kqz s TYR 176 Ca 0.02 1.40 -0.21 0.00 -1.01 0.00 0.00 57.07 57.28 3kqz s TYR 176 Cb -0.05 -2.64 0.04 0.00 -0.11 0.00 0.00 41.96 39.20 3kqz s TYR 176 CO 0.00 0.29 0.60 0.00 -1.11 0.00 0.00 175.55 175.32 3kqz s MET 177 N -2.13 1.43 0.19 -0.62 0.23 -0.01 -4.98 119.30 113.41 3kqz s MET 177 Ca 0.45 -0.73 -0.26 0.00 -1.03 0.00 0.00 55.69 54.12 3kqz s MET 177 Cb -0.16 0.57 -0.08 0.00 -1.53 0.00 0.00 34.83 33.63 3kqz s MET 177 CO 0.21 -0.63 0.81 -0.06 -2.03 0.00 0.00 175.02 173.32 3kqz s PHE 178 N -3.83 3.92 0.00 3.16 0.08 -1.26 -0.78 117.98 119.26 3kqz s PHE 178 Ca 0.06 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.80 3kqz s PHE 178 Cb -0.02 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 3kqz s PHE 178 CO -0.05 0.50 0.00 0.27 -0.10 0.00 0.00 175.22 175.84 3kqz n ASN 179 N 1.53 0.00 0.29 1.36 6.94 -0.68 -4.71 115.26 119.98 3kqz n ASN 179 Ca -0.05 -0.58 0.18 0.00 -0.02 0.00 0.00 54.58 54.11 3kqz n ASN 179 Cb 0.48 0.00 0.78 0.00 -2.36 0.00 0.00 39.78 38.68 3kqz n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kqz h ASP 180 N 0.00 0.00 -0.16 0.53 3.45 -1.90 -1.26 116.42 117.08 3kqz h ASP 180 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3kqz h ASP 180 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3kqz h ASP 180 CO 0.00 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.26 3kqz n ASN 181 N -3.10 1.93 0.00 6.45 3.02 -1.26 -4.90 115.26 117.41 3kqz n ASN 181 Ca -0.00 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 3kqz n ASN 181 Cb 0.27 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 3kqz n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kqz n LYS 182 N 0.50 -0.03 -2.62 3.52 4.76 -0.48 -4.98 118.16 118.83 3kqz n LYS 182 Ca 0.17 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.21 3kqz n LYS 182 Cb 0.38 -3.06 -0.04 0.00 -1.84 0.00 0.00 35.03 30.48 3kqz n LYS 182 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3kqz s ASN 183 N -2.69 7.35 -0.05 4.39 2.47 -1.26 -4.68 114.94 120.47 3kqz s ASN 183 Ca 0.00 1.90 -0.30 0.00 0.42 0.00 0.00 52.86 54.88 3kqz s ASN 183 Cb 0.00 -2.59 -0.05 0.00 -1.45 0.00 0.00 41.25 37.16 3kqz s ASN 183 CO 0.00 -0.20 1.49 -0.55 -3.72 0.00 0.00 177.10 174.13 3kqz s SER 184 N 0.26 6.78 0.07 -4.21 0.15 -1.26 -1.69 113.70 113.80 3kqz s SER 184 Ca 0.50 2.10 0.04 0.00 0.70 0.00 0.00 55.95 59.29 3kqz s SER 184 Cb -0.26 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.48 3kqz s SER 184 CO 0.31 -0.82 -0.11 0.68 1.20 0.00 0.00 173.24 174.49 3kqz s VAL 185 N 3.31 0.93 -0.09 4.45 -7.23 0.04 -4.54 120.40 117.26 3kqz s VAL 185 Ca 0.67 -1.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3kqz s VAL 185 Cb -0.31 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 3kqz s VAL 185 CO 0.26 -0.36 -0.05 0.00 -0.31 0.00 0.00 175.10 174.64 3kqz s ALA 186 N -1.63 3.01 0.01 1.32 0.00 -0.24 -0.83 121.76 123.41 3kqz s ALA 186 Ca -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3kqz s ALA 186 Cb -0.08 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 3kqz s ALA 186 CO 0.01 0.47 -0.05 0.08 0.00 0.00 0.00 175.76 176.28 3kqz s VAL 187 N -0.49 0.33 0.00 0.00 1.01 -0.08 0.61 120.40 121.79 3kqz s VAL 187 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3kqz s VAL 187 Cb -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3kqz s VAL 187 CO 0.02 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3kqz n GLY 188 N 2.54 1.20 3.21 4.51 0.00 0.08 -0.46 105.19 116.28 3kqz n GLY 188 Ca -0.16 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3kqz n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqz s TYR 189 N -2.80 0.10 -0.12 1.61 1.13 -0.59 -0.79 117.35 115.88 3kqz s TYR 189 Ca 0.00 -0.49 0.03 0.00 -1.41 0.00 0.00 57.07 55.20 3kqz s TYR 189 Cb 0.00 -0.02 0.01 0.00 -1.10 0.00 0.00 41.96 40.85 3kqz s TYR 189 CO 0.00 -0.55 -0.21 0.08 -2.51 0.00 0.00 175.55 172.37 3kqz s VAL 190 N -3.69 1.91 0.16 -3.49 1.01 -0.59 -2.55 120.40 113.17 3kqz s VAL 190 Ca 0.03 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 3kqz s VAL 190 Cb 0.04 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 3kqz s VAL 190 CO -0.10 0.52 1.54 -0.83 0.00 0.00 0.00 175.10 176.23 3kqz s GLY 191 N 0.74 1.63 -0.11 4.51 0.00 0.15 -2.70 107.32 111.54 3kqz s GLY 191 Ca -0.10 1.33 0.14 0.00 0.00 0.00 0.00 44.72 46.09 3kqz s GLY 191 CO 0.01 2.58 1.24 0.00 0.00 0.00 0.00 173.10 176.93 3kqz n GLY 193 N -0.66 -0.38 0.00 0.00 0.00 0.68 -4.49 105.19 100.34 3kqz n GLY 193 Ca 0.15 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3kqz n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqz n SER 194 N 0.58 0.35 -4.74 1.61 3.41 -1.26 -1.28 113.62 112.29 3kqz n SER 194 Ca 0.00 -0.69 -0.41 0.00 -0.26 0.00 0.00 58.87 57.51 3kqz n SER 194 Cb 0.00 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 3kqz n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqz s VAL 195 N -0.30 4.03 0.08 -3.33 1.01 -1.26 -4.03 120.40 116.60 3kqz s VAL 195 Ca 0.00 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 3kqz s VAL 195 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 3kqz s VAL 195 CO 0.00 0.38 1.36 0.00 0.00 0.00 0.00 175.10 176.85 3kqz h ALA 196 N 4.65 0.35 -2.95 5.51 0.00 -1.94 -3.42 119.26 121.47 3kqz h ALA 196 Ca -0.45 -0.43 -0.70 0.00 0.00 0.00 0.00 54.91 53.33 3kqz h ALA 196 Cb 1.21 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.67 3kqz h ALA 196 CO 0.70 0.42 -0.55 0.16 0.00 0.00 0.00 179.25 179.97 3kqz s ASP 197 N -6.58 5.55 0.31 0.00 -4.77 -1.26 -4.46 116.67 105.46 3kqz s ASP 197 Ca -0.12 -1.03 -0.28 0.00 -3.30 0.00 0.00 52.55 47.81 3kqz s ASP 197 Cb 0.08 -1.96 -0.09 0.00 -1.09 0.00 0.00 42.92 39.85 3kqz s ASP 197 CO 0.83 -0.35 1.06 -0.76 0.70 0.00 0.00 175.17 176.64 3kqz s LEU 198 N 1.50 4.43 0.77 2.11 1.43 -1.26 -5.05 118.68 122.61 3kqz s LEU 198 Ca 0.01 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 3kqz s LEU 198 Cb -0.19 -3.81 0.05 0.00 0.03 0.00 0.00 46.19 42.27 3kqz s LEU 198 CO 0.05 -0.20 1.12 -0.94 0.23 0.00 0.00 176.35 176.60 3kqz s SER 199 N -1.16 4.83 0.46 2.29 1.04 -1.26 -4.90 113.70 114.99 3kqz s SER 199 Ca 0.48 1.10 0.20 0.00 0.48 0.00 0.00 55.95 58.22 3kqz s SER 199 Cb -0.28 -1.81 1.18 0.00 0.10 0.00 0.00 66.02 65.22 3kqz s SER 199 CO 0.35 -1.73 1.90 1.05 0.98 0.00 0.00 173.24 175.79 3kqz h GLU 200 N -0.93 0.28 -0.12 4.02 -0.00 -1.97 -1.08 114.58 114.78 3kqz h GLU 200 Ca -0.46 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.36 58.78 3kqz h GLU 200 Cb 1.28 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 3kqz h GLU 200 CO 0.63 0.18 -0.33 0.00 -0.00 0.00 0.00 179.01 179.49 3kqz h ALA 201 N 1.63 0.20 -0.58 1.06 0.00 -1.92 -0.82 119.26 118.82 3kqz h ALA 201 Ca 0.40 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kqz h ALA 201 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3kqz h ALA 201 CO -0.11 0.25 0.31 -0.44 0.00 0.00 0.00 179.25 179.26 3kqz h ASP 202 N 0.01 0.46 0.03 0.00 3.32 -1.81 -1.98 116.42 116.46 3kqz h ASP 202 Ca -0.01 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 3kqz h ASP 202 Cb 0.94 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3kqz h ASP 202 CO 0.07 0.31 -0.45 -0.03 -1.72 0.00 0.00 179.24 177.42 3kqz h MET 203 N 0.60 0.50 -0.36 3.56 4.05 -0.97 -0.59 114.93 121.72 3kqz h MET 203 Ca 0.26 -0.27 0.05 0.00 -0.28 0.00 0.00 59.70 59.45 3kqz h MET 203 Cb 0.15 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 3kqz h MET 203 CO -0.16 0.85 0.10 0.87 0.23 0.00 0.00 176.91 178.79 3kqz h LYS 204 N 0.40 0.22 -0.71 0.39 1.57 -0.76 0.52 116.57 118.21 3kqz h LYS 204 Ca 0.03 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3kqz h LYS 204 Cb 0.95 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 3kqz h LYS 204 CO 0.08 0.15 0.25 0.00 -0.57 0.00 0.00 179.45 179.37 3kqz h ARG 205 N 0.23 1.08 -0.47 3.15 3.08 -0.58 0.29 114.38 121.16 3kqz h ARG 205 Ca 0.17 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3kqz h ARG 205 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3kqz h ARG 205 CO -0.19 0.90 -0.03 0.28 -1.07 0.00 0.00 179.97 179.85 3kqz h VAL 206 N 1.05 1.27 -0.64 2.04 2.07 -0.56 -2.17 116.25 119.30 3kqz h VAL 206 Ca 0.24 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 3kqz h VAL 206 Cb 0.25 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3kqz h VAL 206 CO -0.01 0.39 0.08 0.58 0.02 0.00 0.00 177.57 178.62 3kqz h VAL 207 N 0.70 1.26 -0.62 2.57 2.07 -0.28 -1.43 116.25 120.52 3kqz h VAL 207 Ca 0.13 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.66 3kqz h VAL 207 Cb 0.55 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3kqz h VAL 207 CO 0.03 0.39 0.30 -0.07 0.02 0.00 0.00 177.57 178.25 3kqz h LEU 208 N 1.00 0.40 -0.40 2.57 4.07 -0.17 0.25 115.31 123.02 3kqz h LEU 208 Ca 0.19 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.12 3kqz h LEU 208 Cb 0.47 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3kqz h LEU 208 CO 0.02 0.25 -0.07 -1.28 -1.08 0.00 0.00 178.44 176.28 3kqz h SER 209 N 0.55 0.76 0.19 -0.43 0.87 -1.11 -0.69 113.55 113.69 3kqz h SER 209 Ca 0.29 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3kqz h SER 209 Cb 0.27 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 3kqz h SER 209 CO -0.23 0.93 -0.42 0.25 -0.53 0.00 0.00 176.83 176.83 3kqz h LEU 210 N 0.57 -1.22 -1.30 2.23 5.85 -0.63 -2.77 115.31 118.03 3kqz h LEU 210 Ca 0.10 0.13 0.14 0.00 0.84 0.00 0.00 57.88 59.09 3kqz h LEU 210 Cb 0.58 0.45 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 3kqz h LEU 210 CO 0.03 -0.51 0.57 0.58 -0.34 0.00 0.00 178.44 178.77 3kqz h VAL 211 N -0.70 0.84 -0.30 1.05 2.07 -0.40 0.41 116.25 119.22 3kqz h VAL 211 Ca 0.01 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3kqz h VAL 211 Cb 0.70 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3kqz h VAL 211 CO -0.20 0.13 -0.09 0.74 0.02 0.00 0.00 177.57 178.16 3kqz h THR 212 N 0.69 0.67 -0.84 2.57 2.02 -0.96 0.71 112.91 117.77 3kqz h THR 212 Ca 0.44 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.59 3kqz h THR 212 Cb 0.70 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3kqz h THR 212 CO -0.20 0.00 0.39 0.24 0.37 0.00 0.00 175.52 176.32 3kqz h MET 213 N -0.02 1.22 -0.71 6.66 2.07 -0.98 -2.26 114.93 120.90 3kqz h MET 213 Ca 0.15 -0.19 -0.04 0.00 -2.07 0.00 0.00 59.70 57.55 3kqz h MET 213 Cb 0.24 -0.22 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 3kqz h MET 213 CO -0.32 0.94 0.30 -0.07 1.07 0.00 0.00 176.91 178.83 3kqz h LEU 214 N 1.20 0.97 -1.69 1.22 3.38 0.24 -2.62 115.31 118.01 3kqz h LEU 214 Ca 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kqz h LEU 214 Cb 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kqz h LEU 214 CO -0.03 0.87 -0.11 0.45 0.09 0.00 0.00 178.44 179.70 3kqz h HIS 215 N 1.02 0.00 -0.06 1.13 3.86 0.73 -2.81 115.15 119.02 3kqz h HIS 215 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 3kqz h HIS 215 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3kqz h HIS 215 CO 0.01 0.11 0.00 -0.25 0.86 0.00 0.00 177.93 178.67 3kqz n ASP 216 N -3.39 2.61 -3.94 2.45 8.00 -0.88 -4.92 116.55 116.47 3kqz n ASP 216 Ca -0.01 -1.86 -0.19 0.00 0.71 0.00 0.00 54.79 53.44 3kqz n ASP 216 Cb 0.29 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.21 3kqz n ASP 216 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kqz s ASN 217 N -1.95 0.98 -0.26 -2.24 0.01 -1.01 -5.06 114.94 105.40 3kqz s ASN 217 Ca 0.32 -0.14 -0.29 0.00 -0.71 0.00 0.00 52.86 52.03 3kqz s ASN 217 Cb 0.20 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.52 3kqz s ASN 217 CO 0.31 0.01 1.17 -1.59 -1.51 0.00 0.00 177.10 175.49 3kqz s LYS 218 N 0.50 4.10 -0.00 -0.60 -2.85 -1.26 -4.88 119.74 114.75 3kqz s LYS 218 Ca -0.07 1.31 -0.04 0.00 -1.00 0.00 0.00 55.97 56.17 3kqz s LYS 218 Cb -0.11 -3.77 -0.00 0.00 -2.06 0.00 0.00 37.83 31.90 3kqz s LYS 218 CO 0.00 -0.87 0.08 -0.51 0.10 0.00 0.00 175.35 174.15 3kqz s LEU 219 N 3.73 1.78 0.08 2.77 1.43 -1.26 -5.01 118.68 122.20 3kqz s LEU 219 Ca 0.50 -0.21 0.22 0.00 -1.03 0.00 0.00 54.13 53.62 3kqz s LEU 219 Cb -0.16 0.42 -0.13 0.00 0.03 0.00 0.00 46.19 46.35 3kqz s LEU 219 CO 0.16 -0.28 0.82 -1.54 0.23 0.00 0.00 176.35 175.74 3kqz n SER 220 N 1.84 0.47 -3.68 2.29 3.41 -1.26 -3.82 113.62 112.87 3kqz n SER 220 Ca -0.21 0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 3kqz n SER 220 Cb 0.56 1.13 -0.09 0.00 -0.26 0.00 0.00 64.21 65.56 3kqz n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kqz s LYS 221 N -3.38 0.65 -0.06 4.33 2.20 -1.26 -0.32 119.74 121.90 3kqz s LYS 221 Ca -0.02 0.79 0.06 0.00 -0.36 0.00 0.00 55.97 56.43 3kqz s LYS 221 Cb 0.12 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.74 3kqz s LYS 221 CO 0.84 -0.08 -0.25 -1.17 -0.36 0.00 0.00 175.35 174.33 3kqz s LEU 222 N 0.34 2.07 -0.09 5.43 2.96 -0.94 -1.11 118.68 127.34 3kqz s LEU 222 Ca -0.00 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 3kqz s LEU 222 Cb -0.04 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 3kqz s LEU 222 CO 0.00 0.23 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.18 3kqz s THR 223 N -0.08 2.53 -0.11 3.68 2.01 0.80 -0.70 115.64 123.77 3kqz s THR 223 Ca -0.06 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.10 3kqz s THR 223 Cb -0.14 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 3kqz s THR 223 CO 0.04 0.55 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.64 3kqz s VAL 224 N 0.09 2.41 -0.20 3.82 1.01 0.36 -0.69 120.40 127.20 3kqz s VAL 224 Ca -0.09 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 3kqz s VAL 224 Cb -0.15 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3kqz s VAL 224 CO 0.06 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.93 3kqz s VAL 225 N 0.32 3.06 -0.58 2.92 1.01 0.11 -0.92 120.40 126.32 3kqz s VAL 225 Ca -0.16 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3kqz s VAL 225 Cb -0.17 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.90 3kqz s VAL 225 CO 0.08 0.46 0.84 -0.36 0.00 0.00 0.00 175.10 176.12 3kqz s PHE 226 N 1.34 2.84 -0.37 5.22 0.40 0.38 -1.02 117.98 126.77 3kqz s PHE 226 Ca 0.04 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 3kqz s PHE 226 Cb -0.14 -4.02 0.59 0.00 0.51 0.00 0.00 43.02 39.96 3kqz s PHE 226 CO -0.05 -1.37 1.70 0.39 0.70 0.00 0.00 175.22 176.59 3kqz n GLU 227 N 7.10 2.04 -4.44 0.44 1.02 -0.84 -4.63 120.64 121.33 3kqz n GLU 227 Ca -0.04 -3.11 -0.21 0.00 -0.02 0.00 0.00 57.16 53.78 3kqz n GLU 227 Cb 0.46 -2.00 -0.10 0.00 -0.02 0.00 0.00 31.44 29.77 3kqz n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kqz s ILE 228 N -3.28 1.47 0.02 -3.67 -4.36 -1.23 -4.48 121.20 105.67 3kqz s ILE 228 Ca 0.51 -2.07 -0.07 0.00 -0.26 0.00 0.00 60.65 58.76 3kqz s ILE 228 Cb 0.44 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 3kqz s ILE 228 CO 0.05 -0.19 0.29 0.20 0.24 0.00 0.00 174.94 175.53 3kqz s ASN 229 N -3.46 6.51 -0.30 4.36 0.01 -1.26 -5.01 114.94 115.79 3kqz s ASN 229 Ca 0.32 0.58 -0.11 0.00 -0.71 0.00 0.00 52.86 52.94 3kqz s ASN 229 Cb 0.06 -2.10 0.13 0.00 0.41 0.00 0.00 41.25 39.75 3kqz s ASN 229 CO 0.13 0.23 0.71 0.54 -1.51 0.00 0.00 177.10 177.20 3kqz s VAL 230 N -1.33 -0.85 1.06 1.60 0.11 -1.26 -4.61 120.40 115.11 3kqz s VAL 230 Ca 0.29 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.19 3kqz s VAL 230 Cb -0.13 -1.00 0.22 0.00 -1.53 0.00 0.00 36.38 33.94 3kqz s VAL 230 CO 0.17 0.00 1.13 1.51 -3.33 0.00 0.00 175.10 174.58 3kqz s ASP 231 N 2.74 2.16 0.18 3.54 3.84 -1.26 -4.75 116.67 123.12 3kqz s ASP 231 Ca -0.06 0.81 -0.13 0.00 -0.00 0.00 0.00 52.55 53.17 3kqz s ASP 231 Cb -0.11 -1.23 0.13 0.00 -1.38 0.00 0.00 42.92 40.33 3kqz s ASP 231 CO -0.19 -3.38 1.79 0.11 -0.00 0.00 0.00 175.17 173.50 3kqz h LYS 232 N -2.07 0.48 -0.67 2.11 1.57 -1.98 0.92 116.57 116.94 3kqz h LYS 232 Ca -0.49 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 3kqz h LYS 232 Cb 1.31 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3kqz h LYS 232 CO 0.47 0.32 0.36 -0.91 -0.57 0.00 0.00 179.45 179.13 3kqz h ASN 233 N 0.50 0.82 0.54 0.86 2.35 -1.93 0.15 115.58 118.88 3kqz h ASN 233 Ca 0.22 -0.06 -0.24 0.00 -0.55 0.00 0.00 56.30 55.67 3kqz h ASN 233 Cb 0.12 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 3kqz h ASN 233 CO -0.15 0.66 -1.04 0.25 -1.65 0.00 0.00 177.43 175.50 3kqz h LEU 234 N 0.93 0.40 0.16 1.61 5.85 -1.76 0.09 115.31 122.58 3kqz h LEU 234 Ca 0.24 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kqz h LEU 234 Cb 0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3kqz h LEU 234 CO -0.04 1.21 -0.16 0.15 -0.34 0.00 0.00 178.44 179.26 3kqz h PHE 235 N 0.13 -0.43 -0.93 1.25 3.57 -0.35 0.84 116.94 121.03 3kqz h PHE 235 Ca -0.09 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.51 3kqz h PHE 235 Cb 1.72 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 40.55 3kqz h PHE 235 CO 0.05 -0.25 0.57 -0.09 -2.23 0.00 0.00 178.31 176.37 3kqz h ARG 236 N -0.35 0.94 -0.53 1.11 2.43 -0.57 -2.33 114.38 115.09 3kqz h ARG 236 Ca 0.01 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3kqz h ARG 236 Cb 0.34 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3kqz h ARG 236 CO -0.05 0.62 0.34 0.35 -1.51 0.00 0.00 179.97 179.72 3kqz h PHE 237 N 0.97 0.64 -0.34 2.20 3.57 -0.39 0.45 116.94 124.04 3kqz h PHE 237 Ca 0.44 0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.01 3kqz h PHE 237 Cb 0.33 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 3kqz h PHE 237 CO -0.02 0.39 0.01 0.35 -2.23 0.00 0.00 178.31 176.81 3kqz h PHE 238 N 0.69 -0.00 -0.14 0.41 3.57 -0.33 -0.75 116.94 120.38 3kqz h PHE 238 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3kqz h PHE 238 Cb -0.05 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3kqz h PHE 238 CO -0.05 -0.05 0.05 -0.07 -2.23 0.00 0.00 178.31 175.96 3kqz h LEU 239 N 0.11 0.21 -0.29 0.59 4.07 -1.09 -0.77 115.31 118.13 3kqz h LEU 239 Ca 0.17 -0.19 0.05 0.00 0.08 0.00 0.00 57.88 57.99 3kqz h LEU 239 Cb 0.22 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.86 3kqz h LEU 239 CO -0.27 0.34 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.08 3kqz h GLU 240 N 0.06 0.05 -0.39 1.13 5.08 -0.71 0.48 114.58 120.29 3kqz h GLU 240 Ca 0.05 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3kqz h GLU 240 Cb 0.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3kqz h GLU 240 CO -0.00 0.04 0.16 1.15 -1.00 0.00 0.00 179.01 179.35 3kqz h THR 241 N 0.06 1.19 0.32 1.13 2.02 -1.16 0.11 112.91 116.59 3kqz h THR 241 Ca 0.14 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3kqz h THR 241 Cb 0.20 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3kqz h THR 241 CO -0.26 0.22 -0.27 0.25 0.37 0.00 0.00 175.52 175.83 3kqz h LEU 242 N 0.49 -0.72 -0.74 2.58 5.85 -0.62 0.70 115.31 122.84 3kqz h LEU 242 Ca 0.13 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.01 3kqz h LEU 242 Cb 0.19 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3kqz h LEU 242 CO -0.01 -0.41 0.38 -0.26 -0.34 0.00 0.00 178.44 177.81 3kqz h PHE 243 N -0.61 0.68 -0.04 1.25 0.04 -0.67 0.56 116.94 118.16 3kqz h PHE 243 Ca -0.02 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.64 3kqz h PHE 243 Cb 0.54 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.51 3kqz h PHE 243 CO -0.15 0.25 -0.53 -0.92 -0.60 0.00 0.00 178.31 176.36 3kqz h TYR 244 N 0.64 0.61 -0.01 -0.55 3.20 0.12 -0.92 116.97 120.06 3kqz h TYR 244 Ca 0.37 -0.30 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 3kqz h TYR 244 Cb 0.38 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3kqz h TYR 244 CO -0.10 1.10 -0.51 0.93 -1.64 0.00 0.00 178.16 177.94 3kqz h GLU 245 N -0.06 0.01 -0.27 1.82 4.39 0.51 -3.10 114.58 117.88 3kqz h GLU 245 Ca -0.06 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 3kqz h GLU 245 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3kqz h GLU 245 CO 0.11 0.52 -0.55 -0.92 -1.16 0.00 0.00 179.01 177.01 3kqz h TYR 246 N 0.01 1.08 -2.96 4.33 3.20 -0.79 -3.44 116.97 118.40 3kqz h TYR 246 Ca -0.00 -0.39 -0.53 0.00 3.14 0.00 0.00 58.73 60.95 3kqz h TYR 246 Cb 0.91 -0.20 0.05 0.00 1.54 0.00 0.00 36.73 39.03 3kqz h TYR 246 CO 0.00 1.22 0.85 1.41 -1.64 0.00 0.00 178.16 180.00 3kqz s MET 247 N -4.09 4.22 -0.18 1.82 1.75 -0.36 -4.99 119.30 117.47 3kqz s MET 247 Ca -0.11 2.35 -0.02 0.00 -1.25 0.00 0.00 55.69 56.66 3kqz s MET 247 Cb 0.10 -3.14 -0.01 0.00 2.84 0.00 0.00 34.83 34.61 3kqz s MET 247 CO 0.89 -0.57 -0.07 0.99 -0.65 0.00 0.00 175.02 175.61 3kqz s THR 248 N 0.86 3.34 -0.58 10.11 2.01 -1.26 -4.95 115.64 125.16 3kqz s THR 248 Ca 0.67 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.87 3kqz s THR 248 Cb -0.43 -2.47 0.03 0.00 0.01 0.00 0.00 72.50 69.64 3kqz s THR 248 CO 0.34 0.47 1.14 -0.62 -0.69 0.00 0.00 174.62 175.27 3kqz s ASP 249 N 0.86 6.40 -0.15 3.53 -1.08 -1.26 -4.87 116.67 120.10 3kqz s ASP 249 Ca -0.02 -0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.13 3kqz s ASP 249 Cb -0.15 -2.53 0.46 0.00 -1.46 0.00 0.00 42.92 39.25 3kqz s ASP 249 CO 0.01 -1.44 1.35 -0.62 0.52 0.00 0.00 175.17 174.99 3kqz n GLU 250 N 8.27 2.63 -0.08 4.34 1.02 -1.26 -4.70 120.64 130.85 3kqz n GLU 250 Ca 0.06 -2.71 0.25 0.00 -0.02 0.00 0.00 57.16 54.74 3kqz n GLU 250 Cb 0.49 -1.72 0.71 0.00 -0.02 0.00 0.00 31.44 30.90 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kqz h ARG 251 N 1.46 0.00 -0.20 3.49 3.08 -1.97 -2.24 114.38 118.00 3kqz h ARG 251 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqz h ARG 251 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3kqz h ARG 251 CO 0.16 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.25 3kqz n PHE 252 N -4.23 0.25 -3.03 3.04 3.01 -1.26 -4.95 117.46 110.29 3kqz n PHE 252 Ca 0.14 -0.27 -0.35 0.00 1.01 0.00 0.00 57.45 57.99 3kqz n PHE 252 Cb 0.80 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 40.19 3kqz n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kqz s LYS 253 N -0.98 4.21 -0.70 -1.08 -0.14 -0.85 -5.27 119.74 114.94 3kqz s LYS 253 Ca 0.19 0.90 0.00 0.00 -1.36 0.00 0.00 55.97 55.70 3kqz s LYS 253 Cb 0.11 -2.62 0.38 0.00 -1.68 0.00 0.00 37.83 34.02 3kqz s LYS 253 CO 0.15 0.24 1.74 -1.13 -0.76 0.00 0.00 175.35 175.59 3kqz n SER 254 N 0.15 6.64 -3.79 2.83 3.41 -1.26 -5.07 113.62 116.54 3kqz n SER 254 Ca 0.01 -3.80 -0.30 0.00 -0.26 0.00 0.00 58.87 54.53 3kqz n SER 254 Cb 0.52 -0.86 -0.15 0.00 -0.26 0.00 0.00 64.21 63.46 3kqz n SER 254 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3kqz s GLU 262 N -3.89 0.91 0.61 4.33 8.01 -1.26 -5.20 118.70 122.22 3kqz s GLU 262 Ca 0.52 -1.32 -0.15 0.00 0.01 0.00 0.00 54.97 54.03 3kqz s GLU 262 Cb 0.43 -2.26 -0.03 0.00 -4.31 0.00 0.00 34.13 27.97 3kqz s GLU 262 CO -0.30 -0.99 1.07 0.71 0.01 0.00 0.00 175.26 175.75 3kqz s TYR 263 N 1.36 2.91 0.94 1.61 2.02 -1.26 -4.63 117.35 120.30 3kqz s TYR 263 Ca 0.11 1.52 -0.11 0.00 -0.37 0.00 0.00 57.07 58.22 3kqz s TYR 263 Cb -0.18 -3.04 0.15 0.00 -0.40 0.00 0.00 41.96 38.48 3kqz s TYR 263 CO -0.20 -1.25 1.04 0.44 -1.57 0.00 0.00 175.55 174.01 3kqz n ILE 264 N -2.16 0.00 0.28 2.71 -5.35 -1.25 -4.87 119.36 108.73 3kqz n ILE 264 Ca 0.09 -0.06 0.04 0.00 -0.27 0.00 0.00 62.75 62.56 3kqz n ILE 264 Cb 0.53 -0.95 -0.06 0.00 -1.74 0.00 0.00 39.64 37.42 3kqz n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqz n LYS 265 N -3.99 2.96 -4.18 6.28 4.76 0.57 -4.65 118.16 119.91 3kqz n LYS 265 Ca 0.11 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.35 3kqz n LYS 265 Cb 0.52 -1.00 -0.15 0.00 -1.84 0.00 0.00 35.03 32.56 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqz s HIS 266 N -2.06 0.58 -0.22 2.13 3.76 -0.97 -0.68 115.29 117.83 3kqz s HIS 266 Ca 0.01 -0.12 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 3kqz s HIS 266 Cb 0.06 -0.43 0.05 0.00 1.11 0.00 0.00 32.58 33.38 3kqz s HIS 266 CO 0.36 -0.06 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.94 3kqz s LEU 267 N 0.16 2.47 -0.08 0.89 2.96 0.16 -2.21 118.68 123.03 3kqz s LEU 267 Ca -0.02 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 52.72 3kqz s LEU 267 Cb -0.06 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 3kqz s LEU 267 CO -0.00 -0.19 0.35 -0.83 -1.32 0.00 0.00 176.35 174.36 3kqz s GLY 268 N 1.38 2.34 -0.13 7.98 0.00 0.12 -0.50 107.32 118.50 3kqz s GLY 268 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3kqz s GLY 268 CO -0.07 0.26 -0.11 0.14 0.00 0.00 0.00 173.10 173.31 3kqz s VAL 269 N -0.33 1.34 -0.25 1.40 1.01 0.74 -0.48 120.40 123.83 3kqz s VAL 269 Ca 0.21 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3kqz s VAL 269 Cb -0.15 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3kqz s VAL 269 CO 0.09 0.42 0.30 -0.31 0.00 0.00 0.00 175.10 175.60 3kqz s TYR 270 N 1.58 3.29 -0.08 5.22 1.51 -0.10 0.53 117.35 129.30 3kqz s TYR 270 Ca 0.05 0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 56.34 3kqz s TYR 270 Cb -0.13 -2.46 0.03 0.00 -0.11 0.00 0.00 41.96 39.30 3kqz s TYR 270 CO -0.10 -0.09 0.36 -1.50 -1.11 0.00 0.00 175.55 173.11 3kqz s ILE 271 N 1.57 0.03 0.33 2.71 2.07 -0.47 -0.47 121.20 126.97 3kqz s ILE 271 Ca 0.13 -0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 58.87 3kqz s ILE 271 Cb -0.15 -0.58 -0.10 0.00 0.13 0.00 0.00 42.46 41.76 3kqz s ILE 271 CO 0.08 -0.12 1.35 0.21 -1.91 0.00 0.00 174.94 174.55 3kqz s ASN 272 N -0.55 6.69 -1.24 4.50 2.47 -1.26 -2.02 114.94 123.54 3kqz s ASN 272 Ca -0.07 2.75 -0.01 0.00 0.42 0.00 0.00 52.86 55.95 3kqz s ASN 272 Cb -0.04 -2.65 -0.01 0.00 -1.45 0.00 0.00 41.25 37.11 3kqz s ASN 272 CO 0.03 -0.60 0.83 0.59 -3.72 0.00 0.00 177.10 174.22 3kqz n ASN 273 N 0.86 -2.02 -0.06 -4.21 3.02 -1.26 -4.92 115.26 106.68 3kqz n ASN 273 Ca 0.01 -0.74 0.08 0.00 -0.03 0.00 0.00 54.58 53.90 3kqz n ASN 273 Cb 0.41 -4.52 0.46 0.00 -0.61 0.00 0.00 39.78 35.52 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqz h ALA 274 N 0.81 1.87 -0.96 5.41 0.00 -1.82 -1.24 119.26 123.33 3kqz h ALA 274 Ca -0.61 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.38 3kqz h ALA 274 Cb 1.35 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 3kqz h ALA 274 CO 0.53 0.04 0.62 -0.44 0.00 0.00 0.00 179.25 179.99 3kqz h ASP 275 N 0.49 0.91 0.55 0.00 3.32 -1.91 -0.81 116.42 118.98 3kqz h ASP 275 Ca 0.23 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kqz h ASP 275 Cb 0.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kqz h ASP 275 CO -0.06 0.53 0.00 0.71 -1.72 0.00 0.00 179.24 178.70 3kqz h THR 276 N 1.00 0.00 0.00 0.35 1.35 -1.60 -3.08 112.91 110.93 3kqz h THR 276 Ca 0.45 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 3kqz h THR 276 Cb 0.37 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3kqz h THR 276 CO -0.20 0.00 -1.77 -1.22 -0.25 0.00 0.00 175.52 172.07 3kqz n TYR 277 N -2.33 0.00 -0.27 4.73 4.01 -0.33 -4.56 117.16 118.41 3kqz n TYR 277 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3kqz n TYR 277 Cb 0.18 -0.39 0.27 0.00 -0.31 0.00 0.00 39.34 39.09 3kqz n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kqz h LYS 278 N 0.00 0.92 -0.86 -0.72 1.57 -1.40 -0.87 116.57 115.21 3kqz h LYS 278 Ca 0.00 -0.06 0.19 0.00 -1.87 0.00 0.00 60.65 58.91 3kqz h LYS 278 Cb 0.86 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 3kqz h LYS 278 CO 0.00 0.61 0.57 0.93 -0.57 0.00 0.00 179.45 180.99 3kqz h GLU 279 N 0.95 0.41 0.00 3.15 5.08 -1.80 -2.65 114.58 119.73 3kqz h GLU 279 Ca 0.37 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3kqz h GLU 279 Cb 0.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3kqz h GLU 279 CO -0.13 0.27 -0.35 0.93 -1.00 0.00 0.00 179.01 178.73 3kqz h GLU 280 N 0.43 0.00 -0.04 2.33 4.39 -1.45 -3.35 114.58 116.89 3kqz h GLU 280 Ca 0.44 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.18 3kqz h GLU 280 Cb 1.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 3kqz h GLU 280 CO -0.16 0.35 -0.31 0.28 -1.16 0.00 0.00 179.01 178.00 3kqz h VAL 281 N 0.00 0.31 0.00 3.13 2.07 -1.56 0.49 116.25 120.69 3kqz h VAL 281 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3kqz h VAL 281 Cb 0.74 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3kqz h VAL 281 CO 0.05 0.00 -0.46 -0.33 0.02 0.00 0.00 177.57 176.84 3kqz h GLU 282 N -0.44 0.00 -0.29 1.57 4.39 -1.77 -1.92 114.58 116.12 3kqz h GLU 282 Ca 0.07 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 3kqz h GLU 282 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3kqz h GLU 282 CO -0.29 0.46 0.01 -0.22 -1.16 0.00 0.00 179.01 177.82 3kqz h LYS 283 N 0.00 0.51 -0.83 2.33 3.64 -1.65 -1.88 116.57 118.69 3kqz h LYS 283 Ca -0.00 -0.16 0.13 0.00 -1.27 0.00 0.00 60.65 59.35 3kqz h LYS 283 Cb 1.26 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 3kqz h LYS 283 CO 0.06 0.65 0.44 0.00 -2.27 0.00 0.00 179.45 178.32 3kqz h ALA 284 N 0.84 1.24 -0.18 5.00 0.00 0.55 -0.15 119.26 126.56 3kqz h ALA 284 Ca 0.08 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3kqz h ALA 284 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kqz h ALA 284 CO 0.01 -0.05 -0.49 -0.09 0.00 0.00 0.00 179.25 178.62 3kqz h ARG 285 N 0.65 0.48 0.14 0.00 2.43 -1.03 0.35 114.38 117.40 3kqz h ARG 285 Ca 0.44 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3kqz h ARG 285 Cb 0.58 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3kqz h ARG 285 CO -0.34 0.87 -0.07 0.28 -1.51 0.00 0.00 179.97 179.20 3kqz h VAL 286 N 0.38 0.99 -0.87 0.20 2.07 -0.98 -2.42 116.25 115.62 3kqz h VAL 286 Ca 0.02 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3kqz h VAL 286 Cb 1.00 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 3kqz h VAL 286 CO 0.09 0.14 0.55 1.88 0.02 0.00 0.00 177.57 180.26 3kqz h TYR 287 N -0.48 1.03 -0.43 1.57 -1.99 -0.72 -0.81 116.97 115.14 3kqz h TYR 287 Ca -0.02 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.82 3kqz h TYR 287 Cb 0.38 -0.34 -0.07 0.00 2.00 0.00 0.00 36.73 38.70 3kqz h TYR 287 CO 0.02 0.57 -0.02 -0.92 -0.00 0.00 0.00 178.16 177.81 3kqz h TYR 288 N 1.05 -0.06 -0.12 4.88 3.20 -0.35 -0.51 116.97 125.06 3kqz h TYR 288 Ca 0.36 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 62.08 3kqz h TYR 288 Cb 0.06 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3kqz h TYR 288 CO -0.02 -0.11 -0.67 0.35 -1.64 0.00 0.00 178.16 176.07 3kqz h PHE 289 N 0.09 0.65 -0.67 -3.82 3.57 -0.66 0.63 116.94 116.73 3kqz h PHE 289 Ca 0.22 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3kqz h PHE 289 Cb 0.32 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3kqz h PHE 289 CO -0.30 1.02 0.39 0.78 -2.23 0.00 0.00 178.31 177.97 3kqz h GLY 290 N 1.13 0.98 0.89 2.40 0.00 -1.12 0.98 103.07 108.31 3kqz h GLY 290 Ca -0.02 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 3kqz h GLY 290 CO 0.12 0.40 -0.66 -0.84 0.00 0.00 0.00 176.54 175.56 3kqz h THR 291 N 0.93 1.39 -0.52 4.70 2.02 -0.27 -1.42 112.91 119.73 3kqz h THR 291 Ca 0.24 -2.05 -0.05 0.00 0.77 0.00 0.00 66.41 65.31 3kqz h THR 291 Cb -0.01 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 3kqz h THR 291 CO -0.04 0.61 0.11 0.22 0.37 0.00 0.00 175.52 176.79 3kqz h TYR 292 N 0.04 0.88 -0.61 3.16 3.20 0.50 -1.36 116.97 122.78 3kqz h TYR 292 Ca -0.08 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 61.75 3kqz h TYR 292 Cb 1.35 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 3kqz h TYR 292 CO 0.13 0.78 0.30 -0.92 -1.64 0.00 0.00 178.16 176.81 3kqz h TYR 293 N 0.72 0.54 -0.03 -3.82 3.20 0.12 0.66 116.97 118.35 3kqz h TYR 293 Ca 0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kqz h TYR 293 Cb 0.36 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 3kqz h TYR 293 CO 0.02 0.22 0.02 0.00 -1.64 0.00 0.00 178.16 176.78 3kqz h ALA 294 N 1.36 0.04 -0.76 1.82 0.00 -1.08 -1.88 119.26 118.75 3kqz h ALA 294 Ca 0.29 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.31 3kqz h ALA 294 Cb 0.25 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 3kqz h ALA 294 CO -0.22 -0.41 0.22 1.03 0.00 0.00 0.00 179.25 179.87 3kqz h SER 295 N -0.06 0.09 -0.77 0.00 0.87 -0.61 0.35 113.55 113.41 3kqz h SER 295 Ca 0.01 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3kqz h SER 295 Cb 0.11 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 3kqz h SER 295 CO -0.00 -0.01 0.43 1.56 -0.53 0.00 0.00 176.83 178.27 3kqz h GLN 296 N 0.31 1.09 -0.15 2.24 4.20 -0.11 0.11 115.11 122.80 3kqz h GLN 296 Ca 0.44 -0.12 -0.20 0.00 0.06 0.00 0.00 58.65 58.82 3kqz h GLN 296 Cb 0.75 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3kqz h GLN 296 CO -0.50 0.80 -0.72 -0.07 -0.67 0.00 0.00 178.83 177.67 3kqz h LEU 297 N 1.10 0.80 -0.10 1.46 3.38 0.16 -1.86 115.31 120.26 3kqz h LEU 297 Ca 0.28 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3kqz h LEU 297 Cb 0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3kqz h LEU 297 CO -0.04 1.28 -0.00 0.40 0.09 0.00 0.00 178.44 180.17 3kqz h ILE 298 N 0.48 1.25 -0.07 1.22 2.04 -0.44 -3.16 117.51 118.84 3kqz h ILE 298 Ca -0.03 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 64.91 3kqz h ILE 298 Cb 1.33 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3kqz h ILE 298 CO 0.14 0.23 -0.45 0.00 0.00 0.00 0.00 178.15 178.07 3kqz h ALA 299 N 0.73 1.11 -1.80 1.87 0.00 -0.79 -3.41 119.26 116.97 3kqz h ALA 299 Ca 0.03 -0.43 -0.67 0.00 0.00 0.00 0.00 54.91 53.83 3kqz h ALA 299 Cb 0.35 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kqz h ALA 299 CO 0.01 0.61 0.97 0.00 0.00 0.00 0.00 179.25 180.83 3kqz n ALA 300 N -2.47 0.33 -1.13 0.00 0.00 -0.70 -4.94 120.51 111.61 3kqz n ALA 300 Ca -0.02 0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.48 3kqz n ALA 300 Cb 0.50 -2.35 0.16 0.00 0.00 0.00 0.00 19.45 17.76 3kqz n ALA 300 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kqz s PRO 301 N 3.56 0.87 0.53 0.00 0.04 -1.26 -4.52 135.00 134.21 3kqz s PRO 301 Ca 0.94 0.77 0.31 0.00 0.04 0.00 0.00 61.00 63.07 3kqz s PRO 301 Cb -0.88 -1.77 1.38 0.00 0.04 0.00 0.00 34.50 33.27 3kqz s PRO 301 CO 0.57 -2.50 2.00 0.77 0.04 0.00 0.00 177.00 177.89 3kqz h SER 302 N -1.73 0.00 0.54 6.66 0.02 -1.82 0.49 113.55 117.72 3kqz h SER 302 Ca -0.51 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.29 3kqz h SER 302 Cb 1.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 3kqz h SER 302 CO 0.54 0.09 -0.65 -0.55 -1.14 0.00 0.00 176.83 175.12 3kqz h ASN 303 N 0.00 0.12 0.02 3.07 -1.07 -1.94 -3.31 115.58 112.47 3kqz h ASN 303 Ca -0.00 -0.07 -0.13 0.00 0.07 0.00 0.00 56.30 56.16 3kqz h ASN 303 Cb 0.49 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 36.69 3kqz h ASN 303 CO 0.01 0.74 -0.71 1.88 0.07 0.00 0.00 177.43 179.42 3kqz h TYR 304 N 0.07 0.06 -3.14 4.14 0.05 -1.38 -3.40 116.97 113.37 3kqz h TYR 304 Ca -0.01 -0.05 -0.75 0.00 0.05 0.00 0.00 58.73 57.97 3kqz h TYR 304 Cb 1.17 -0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.67 3kqz h TYR 304 CO 0.01 1.28 -0.24 0.00 -1.05 0.00 0.00 178.16 178.15 3kqz s ASN 306 N 3.35 2.36 0.56 0.00 2.20 -1.25 -4.34 114.94 117.82 3kqz s ASN 306 Ca 0.03 -1.48 0.29 0.00 -0.94 0.00 0.00 52.86 50.77 3kqz s ASN 306 Cb -0.29 0.15 1.47 0.00 -2.00 0.00 0.00 41.25 40.58 3kqz s ASN 306 CO 0.04 -0.73 1.92 -0.65 -2.94 0.00 0.00 177.10 174.73 3kqz h PRO 307 N 2.04 0.00 0.15 3.55 0.11 -1.86 0.21 132.00 136.20 3kqz h PRO 307 Ca -0.39 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.40 3kqz h PRO 307 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kqz h PRO 307 CO 0.64 0.00 -1.65 0.28 -0.21 0.00 0.00 178.00 177.07 3kqz h VAL 308 N 0.00 0.94 -0.04 3.15 2.07 -1.94 -3.08 116.25 117.35 3kqz h VAL 308 Ca 0.28 -2.45 -0.18 0.00 0.82 0.00 0.00 66.70 65.18 3kqz h VAL 308 Cb 1.30 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 3kqz h VAL 308 CO -0.00 0.80 -0.75 0.77 0.02 0.00 0.00 177.57 178.41 3kqz h SER 309 N -0.06 0.34 -0.20 0.57 4.64 -1.68 -0.19 113.55 116.96 3kqz h SER 309 Ca -0.34 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 60.74 3kqz h SER 309 Cb 1.96 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 3kqz h SER 309 CO 0.12 0.97 0.12 0.25 -0.87 0.00 0.00 176.83 177.42 3kqz h LEU 310 N 0.19 0.25 -0.91 5.97 6.46 -1.12 0.26 115.31 126.40 3kqz h LEU 310 Ca -0.03 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.58 3kqz h LEU 310 Cb 1.32 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 3kqz h LEU 310 CO 0.12 0.24 -0.10 0.77 -0.62 0.00 0.00 178.44 178.85 3kqz h SER 311 N 0.24 0.67 -0.64 1.25 4.64 -1.44 -0.78 113.55 117.49 3kqz h SER 311 Ca 0.07 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 3kqz h SER 311 Cb 0.04 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 3kqz h SER 311 CO -0.01 0.81 0.10 0.78 -0.87 0.00 0.00 176.83 177.63 3kqz h ASN 312 N 0.63 1.03 -0.79 4.97 2.35 -0.71 -1.47 115.58 121.60 3kqz h ASN 312 Ca 0.11 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3kqz h ASN 312 Cb 0.54 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3kqz h ASN 312 CO 0.03 1.03 0.40 0.00 -1.65 0.00 0.00 177.43 177.25 3kqz h ALA 313 N 1.09 1.21 -0.63 -0.83 0.00 0.23 -1.50 119.26 118.83 3kqz h ALA 313 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kqz h ALA 313 Cb 0.44 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kqz h ALA 313 CO 0.01 0.61 0.15 0.00 0.00 0.00 0.00 179.25 180.03 3kqz h ALA 314 N 1.32 1.08 0.04 0.00 0.00 -0.78 0.12 119.26 121.05 3kqz h ALA 314 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kqz h ALA 314 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kqz h ALA 314 CO -0.04 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 180.08 3kqz h VAL 315 N 0.94 1.17 -0.72 0.00 2.07 -0.72 0.31 116.25 119.30 3kqz h VAL 315 Ca 0.20 -0.67 0.15 0.00 0.82 0.00 0.00 66.70 67.20 3kqz h VAL 315 Cb 0.34 1.61 -0.10 0.00 -1.52 0.00 0.00 31.29 31.62 3kqz h VAL 315 CO 0.00 0.17 0.21 -0.08 0.02 0.00 0.00 177.57 177.89 3kqz h GLU 316 N -0.35 0.31 -0.64 1.57 4.81 -1.03 0.14 114.58 119.39 3kqz h GLU 316 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3kqz h GLU 316 Cb 0.32 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3kqz h GLU 316 CO 0.01 0.21 0.40 1.25 -0.73 0.00 0.00 179.01 180.14 3kqz h LEU 317 N 0.32 0.77 -0.70 1.64 5.85 -0.32 -0.26 115.31 122.61 3kqz h LEU 317 Ca 0.40 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.95 3kqz h LEU 317 Cb 0.64 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3kqz h LEU 317 CO -0.45 0.60 -0.18 0.00 -0.34 0.00 0.00 178.44 178.06 3kqz h ALA 318 N 1.21 0.89 -0.50 1.25 0.00 0.83 -1.68 119.26 121.26 3kqz h ALA 318 Ca 0.23 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3kqz h ALA 318 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kqz h ALA 318 CO -0.04 0.63 -0.12 1.96 0.00 0.00 0.00 179.25 181.67 3kqz h GLN 319 N 0.72 0.96 -0.07 0.00 4.20 -0.46 0.09 115.11 120.56 3kqz h GLN 319 Ca 0.11 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 3kqz h GLN 319 Cb 0.69 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 3kqz h GLN 319 CO 0.05 1.04 -0.01 0.87 -0.67 0.00 0.00 178.83 180.11 3kqz h LYS 320 N 0.82 0.09 -0.10 1.46 1.57 -0.61 -3.01 116.57 116.78 3kqz h LYS 320 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kqz h LYS 320 Cb 0.68 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3kqz h LYS 320 CO 0.05 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.32 3kqz n LEU 321 N -4.47 2.50 -3.53 2.94 4.77 -0.67 -4.98 117.00 113.56 3kqz n LEU 321 Ca -0.02 -1.17 -0.26 0.00 -0.03 0.00 0.00 56.01 54.54 3kqz n LEU 321 Cb 0.13 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3kqz n LEU 321 CO 0.35 0.49 0.08 0.59 -1.33 0.00 0.00 177.39 177.56 3kqz n ASN 322 N 0.91 -5.23 -4.85 -1.43 3.02 -0.15 -4.95 115.26 102.58 3kqz n ASN 322 Ca 0.11 -0.54 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 3kqz n ASN 322 Cb 0.42 -4.19 -0.06 0.00 -0.61 0.00 0.00 39.78 35.34 3kqz n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kqz s LEU 323 N -6.99 4.09 0.55 3.41 1.43 -0.20 -4.99 118.68 115.99 3kqz s LEU 323 Ca 0.51 1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 54.67 3kqz s LEU 323 Cb -0.25 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 3kqz s LEU 323 CO 0.63 -0.18 1.11 -1.61 0.23 0.00 0.00 176.35 176.54 3kqz s GLU 324 N -2.92 3.33 -0.01 1.70 2.02 -1.03 -4.58 118.70 117.21 3kqz s GLU 324 Ca 0.53 1.54 -0.15 0.00 0.02 0.00 0.00 54.97 56.90 3kqz s GLU 324 Cb -0.11 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.14 3kqz s GLU 324 CO 0.18 -0.85 0.32 1.52 0.02 0.00 0.00 175.26 176.45 3kqz s TYR 325 N -1.90 -0.19 -0.10 1.61 -0.85 -1.26 -0.69 117.35 113.97 3kqz s TYR 325 Ca 0.71 0.26 -0.05 0.00 -0.52 0.00 0.00 57.07 57.47 3kqz s TYR 325 Cb -0.22 0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.28 3kqz s TYR 325 CO 0.28 -0.41 0.23 0.21 -1.52 0.00 0.00 175.55 174.34 3kqz s LYS 326 N -1.49 0.15 -0.32 -3.49 2.20 -0.08 -4.99 119.74 111.72 3kqz s LYS 326 Ca -0.12 0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 55.98 3kqz s LYS 326 Cb -0.04 -0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.16 3kqz s LYS 326 CO 0.03 -0.22 0.14 0.42 -0.36 0.00 0.00 175.35 175.37 3kqz s ILE 327 N 1.71 4.34 -0.43 5.43 -1.09 -1.26 -1.49 121.20 128.42 3kqz s ILE 327 Ca -0.05 -0.64 -0.25 0.00 -2.23 0.00 0.00 60.65 57.48 3kqz s ILE 327 Cb -0.11 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 3kqz s ILE 327 CO -0.08 -0.01 0.89 -0.76 -1.23 0.00 0.00 174.94 173.76 3kqz s LEU 328 N 1.55 4.04 0.00 2.97 1.02 -0.30 -4.90 118.68 123.06 3kqz s LEU 328 Ca 0.03 0.23 -0.10 0.00 0.02 0.00 0.00 54.13 54.31 3kqz s LEU 328 Cb -0.18 -3.17 0.16 0.00 0.02 0.00 0.00 46.19 43.03 3kqz s LEU 328 CO 0.05 -0.95 0.96 0.61 0.02 0.00 0.00 176.35 177.04 3kqz n GLY 329 N 4.76 -1.07 0.27 -3.19 0.00 -1.26 -0.86 105.19 103.84 3kqz n GLY 329 Ca 0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 3kqz n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 330 N -1.41 1.16 -0.28 1.61 2.07 -1.96 -1.93 116.25 115.52 3kqz h VAL 330 Ca -0.31 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3kqz h VAL 330 Cb 0.90 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3kqz h VAL 330 CO 0.24 0.17 0.14 0.11 0.02 0.00 0.00 177.57 178.24 3kqz h LYS 331 N 0.92 0.28 -0.61 1.57 6.56 -1.95 0.20 116.57 123.54 3kqz h LYS 331 Ca 0.26 -0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.76 3kqz h LYS 331 Cb -0.08 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.49 3kqz h LYS 331 CO -0.07 0.18 0.08 0.93 -2.06 0.00 0.00 179.45 178.52 3kqz h GLU 332 N 0.29 1.01 -0.57 3.15 3.07 -1.86 -1.27 114.58 118.39 3kqz h GLU 332 Ca 0.11 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 3kqz h GLU 332 Cb 0.04 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 3kqz h GLU 332 CO -0.08 0.94 0.26 -0.07 -1.40 0.00 0.00 179.01 178.66 3kqz h LEU 333 N 0.95 0.77 -0.74 1.33 3.38 -0.76 0.39 115.31 120.63 3kqz h LEU 333 Ca 0.19 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3kqz h LEU 333 Cb 0.44 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3kqz h LEU 333 CO 0.01 0.70 0.44 -0.33 0.09 0.00 0.00 178.44 179.36 3kqz h GLU 334 N 0.78 0.81 -0.35 1.13 5.08 -0.30 -1.81 114.58 119.93 3kqz h GLU 334 Ca 0.20 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3kqz h GLU 334 Cb 0.15 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kqz h GLU 334 CO -0.02 0.53 -0.09 0.93 -1.00 0.00 0.00 179.01 179.36 3kqz h GLU 335 N 0.83 0.59 0.00 2.33 5.08 -0.85 -1.50 114.58 121.06 3kqz h GLU 335 Ca 0.32 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3kqz h GLU 335 Cb 0.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3kqz h GLU 335 CO -0.15 0.68 0.00 1.28 -1.00 0.00 0.00 179.01 179.82 3kqz n LEU 336 N -4.20 0.00 -2.05 1.33 4.77 0.09 -4.90 117.00 112.03 3kqz n LEU 336 Ca 0.01 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 3kqz n LEU 336 Cb 0.32 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3kqz n LEU 336 CO 0.41 -0.02 -0.23 0.29 -1.33 0.00 0.00 177.39 176.50 3kqz n LYS 337 N -1.09 -1.49 -1.30 3.23 4.76 -0.56 -4.73 118.16 116.97 3kqz n LYS 337 Ca 0.16 0.97 -0.37 0.00 -2.87 0.00 0.00 58.31 56.20 3kqz n LYS 337 Cb 0.12 -5.48 -0.02 0.00 -1.84 0.00 0.00 35.03 27.80 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kqz n MET 338 N -2.77 2.85 0.11 1.97 2.81 -0.83 -3.00 117.12 118.27 3kqz n MET 338 Ca -0.22 -2.13 0.01 0.00 -1.81 0.00 0.00 57.70 53.55 3kqz n MET 338 Cb 0.66 -2.89 0.33 0.00 -0.71 0.00 0.00 33.22 30.62 3kqz n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqz h GLY 339 N 9.02 0.27 0.59 3.03 0.00 -1.80 -0.73 103.07 113.46 3kqz h GLY 339 Ca 0.65 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.77 3kqz h GLY 339 CO 1.78 0.17 -0.28 0.00 0.00 0.00 0.00 176.54 178.20 3kqz h ALA 340 N 1.55 -0.81 -0.70 3.60 0.00 -1.84 -0.68 119.26 120.38 3kqz h ALA 340 Ca 0.04 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.93 3kqz h ALA 340 Cb 0.51 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 3kqz h ALA 340 CO 0.03 -0.76 0.00 -0.92 0.00 0.00 0.00 179.25 177.61 3kqz h TYR 341 N -1.19 -0.04 -0.45 0.00 3.20 -1.61 -1.46 116.97 115.43 3kqz h TYR 341 Ca -0.08 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 3kqz h TYR 341 Cb 0.61 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3kqz h TYR 341 CO 0.00 -0.20 0.07 -0.07 -1.64 0.00 0.00 178.16 176.31 3kqz h LEU 342 N 0.11 0.65 -0.90 2.82 3.38 -1.11 -2.65 115.31 117.62 3kqz h LEU 342 Ca 0.37 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3kqz h LEU 342 Cb 0.63 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3kqz h LEU 342 CO -0.60 0.68 0.13 0.28 0.09 0.00 0.00 178.44 179.02 3kqz h SER 343 N 0.67 0.89 -0.53 -0.43 0.02 -0.07 -2.17 113.55 111.93 3kqz h SER 343 Ca 0.14 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3kqz h SER 343 Cb 0.32 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3kqz h SER 343 CO 0.00 0.88 0.32 0.58 -1.14 0.00 0.00 176.83 177.47 3kqz h VAL 344 N 0.90 1.16 -0.01 2.27 2.07 -1.05 -2.95 116.25 118.64 3kqz h VAL 344 Ca 0.19 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kqz h VAL 344 Cb 0.34 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3kqz h VAL 344 CO 0.00 0.16 -0.05 0.61 0.02 0.00 0.00 177.57 178.31 3kqz n GLY 345 N -1.13 -0.68 0.29 2.17 0.00 -0.88 -4.26 105.19 100.69 3kqz n GLY 345 Ca 0.03 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.84 3kqz n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqz h LYS 346 N 0.94 0.32 -0.13 1.61 1.57 -1.23 -2.04 116.57 117.60 3kqz h LYS 346 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kqz h LYS 346 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kqz h LYS 346 CO 0.00 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 3kqz n GLY 347 N -1.35 -0.25 3.88 3.86 0.00 -1.24 -4.62 105.19 105.47 3kqz n GLY 347 Ca 0.18 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3kqz n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqz s SER 348 N -1.32 6.61 0.00 1.61 0.15 -0.77 -4.53 113.70 115.45 3kqz s SER 348 Ca 0.22 0.91 0.22 0.00 0.70 0.00 0.00 55.95 58.00 3kqz s SER 348 Cb 0.11 -2.22 0.93 0.00 -1.71 0.00 0.00 66.02 63.13 3kqz s SER 348 CO 0.17 -0.09 1.70 1.15 1.20 0.00 0.00 173.24 177.37 3kqz n MET 349 N -0.23 0.00 -3.86 5.44 0.00 -1.26 -4.72 117.12 112.49 3kqz n MET 349 Ca 0.00 0.12 -0.36 0.00 0.00 0.00 0.00 57.70 57.47 3kqz n MET 349 Cb 0.53 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.13 3kqz n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqz s TYR 350 N -3.00 3.17 0.39 3.17 1.51 -1.26 -4.89 117.35 116.44 3kqz s TYR 350 Ca 0.11 -0.13 -0.27 0.00 -1.01 0.00 0.00 57.07 55.76 3kqz s TYR 350 Cb 0.14 -2.18 -0.11 0.00 -0.11 0.00 0.00 41.96 39.70 3kqz s TYR 350 CO 0.40 -0.11 1.36 -2.30 -1.11 0.00 0.00 175.55 173.80 3kqz n PRO 351 N 4.31 2.26 -1.63 -1.71 -0.02 -1.26 -4.76 135.00 132.19 3kqz n PRO 351 Ca -0.16 0.80 -0.45 0.00 -2.02 0.00 0.00 63.50 61.67 3kqz n PRO 351 Cb 0.52 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3kqz n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kqz n ASN 352 N 0.40 1.96 -3.79 2.55 4.13 -1.26 -4.58 115.26 114.66 3kqz n ASN 352 Ca 0.04 1.17 -0.23 0.00 1.68 0.00 0.00 54.58 57.24 3kqz n ASN 352 Cb 0.38 -1.35 -0.17 0.00 -1.54 0.00 0.00 39.78 37.10 3kqz n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kqz s LYS 353 N -1.22 0.72 -0.35 3.52 -0.14 -0.76 -3.95 119.74 117.56 3kqz s LYS 353 Ca 0.62 0.06 -0.17 0.00 -1.36 0.00 0.00 55.97 55.12 3kqz s LYS 353 Cb -0.68 -1.04 -0.01 0.00 -1.68 0.00 0.00 37.83 34.43 3kqz s LYS 353 CO 0.57 -0.29 0.44 0.12 -0.76 0.00 0.00 175.35 175.43 3kqz s PHE 354 N 1.89 3.19 -0.11 3.18 2.19 -0.04 -0.82 117.98 127.46 3kqz s PHE 354 Ca 0.04 0.06 -0.23 0.00 0.33 0.00 0.00 56.93 57.13 3kqz s PHE 354 Cb -0.12 -2.80 -0.03 0.00 -1.31 0.00 0.00 43.02 38.76 3kqz s PHE 354 CO -0.05 -0.49 0.72 0.42 1.83 0.00 0.00 175.22 177.64 3kqz s ILE 355 N 2.20 5.01 -0.30 3.12 1.01 0.29 -1.15 121.20 131.38 3kqz s ILE 355 Ca 0.15 1.45 -0.03 0.00 0.00 0.00 0.00 60.65 62.22 3kqz s ILE 355 Cb -0.16 -4.05 0.10 0.00 0.01 0.00 0.00 42.46 38.36 3kqz s ILE 355 CO 0.12 0.18 0.12 -2.28 0.00 0.00 0.00 174.94 173.08 3kqz s HIS 356 N 1.26 0.92 0.07 3.97 2.46 -0.56 -0.81 115.29 122.60 3kqz s HIS 356 Ca 0.36 -1.25 0.02 0.00 0.47 0.00 0.00 55.06 54.67 3kqz s HIS 356 Cb -0.17 -1.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.99 3kqz s HIS 356 CO 0.16 -0.85 0.09 -0.51 -2.47 0.00 0.00 174.74 171.16 3kqz s LEU 357 N 1.89 3.87 -0.03 8.88 1.02 -0.09 -0.91 118.68 133.31 3kqz s LEU 357 Ca 0.09 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.29 3kqz s LEU 357 Cb -0.17 -2.52 0.02 0.00 0.02 0.00 0.00 46.19 43.54 3kqz s LEU 357 CO -0.32 0.18 -0.05 -0.89 0.02 0.00 0.00 176.35 175.29 3kqz s THR 358 N -1.38 0.52 -0.20 5.49 2.01 0.14 0.36 115.64 122.57 3kqz s THR 358 Ca 0.29 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 3kqz s THR 358 Cb -0.12 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3kqz s THR 358 CO 0.22 0.20 0.04 -0.47 -0.69 0.00 0.00 174.62 173.92 3kqz s TYR 359 N 0.65 3.12 -0.09 4.92 5.04 0.25 -2.48 117.35 128.76 3kqz s TYR 359 Ca -0.08 -0.23 0.04 0.00 -2.44 0.00 0.00 57.07 54.35 3kqz s TYR 359 Cb -0.12 -2.11 0.00 0.00 0.35 0.00 0.00 41.96 40.08 3kqz s TYR 359 CO 0.00 -0.11 -0.21 0.21 -1.34 0.00 0.00 175.55 174.10 3kqz s LYS 360 N 0.88 2.66 0.63 4.97 2.20 -1.26 -0.39 119.74 129.43 3kqz s LYS 360 Ca 0.03 -0.76 -0.17 0.00 -0.36 0.00 0.00 55.97 54.70 3kqz s LYS 360 Cb -0.14 -2.06 -0.02 0.00 -1.51 0.00 0.00 37.83 34.11 3kqz s LYS 360 CO 0.02 0.15 1.17 -1.12 -0.36 0.00 0.00 175.35 175.21 3kqz s SER 361 N 0.39 5.08 0.18 1.43 0.01 -0.61 -4.97 113.70 115.20 3kqz s SER 361 Ca -0.17 2.24 -0.12 0.00 1.31 0.00 0.00 55.95 59.21 3kqz s SER 361 Cb -0.17 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.57 3kqz s SER 361 CO 0.07 -1.66 1.80 0.07 0.41 0.00 0.00 173.24 173.93 3kqz h LYS 362 N 0.50 0.86 0.00 12.44 -0.00 -1.91 -3.45 116.57 125.00 3kqz h LYS 362 Ca -0.49 -0.10 0.00 0.00 -0.00 0.00 0.00 60.65 60.06 3kqz h LYS 362 Cb 1.28 -0.17 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 3kqz h LYS 362 CO 0.54 0.65 0.00 0.41 -0.00 0.00 0.00 179.45 181.05 3kqz n GLY 363 N -1.06 0.62 3.84 0.07 0.00 -1.26 -5.00 105.19 102.39 3kqz n GLY 363 Ca 0.04 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 3kqz n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqz s ASP 364 N -1.06 6.84 -0.33 1.61 1.11 -1.26 -4.98 116.67 118.59 3kqz s ASP 364 Ca 0.00 1.36 -0.14 0.00 0.18 0.00 0.00 52.55 53.95 3kqz s ASP 364 Cb 0.00 -2.40 -0.02 0.00 1.07 0.00 0.00 42.92 41.57 3kqz s ASP 364 CO 0.00 -0.20 0.29 -0.69 1.18 0.00 0.00 175.17 175.75 3kqz s VAL 365 N -1.95 5.24 -0.14 -1.27 1.01 -1.26 -3.77 120.40 118.26 3kqz s VAL 365 Ca 0.54 -0.03 0.18 0.00 0.00 0.00 0.00 61.98 62.67 3kqz s VAL 365 Cb -0.11 -3.73 -0.26 0.00 0.00 0.00 0.00 36.38 32.28 3kqz s VAL 365 CO 0.17 0.00 0.19 0.29 0.00 0.00 0.00 175.10 175.76 3kqz n LYS 366 N 5.21 0.79 -4.25 2.72 5.02 0.19 -4.95 118.16 122.90 3kqz n LYS 366 Ca -0.11 -0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 55.93 3kqz n LYS 366 Cb 0.50 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 3kqz n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kqz s LYS 367 N -2.78 0.64 -0.14 1.97 2.47 -0.84 -5.04 119.74 116.01 3kqz s LYS 367 Ca -0.09 -0.22 0.02 0.00 -1.56 0.00 0.00 55.97 54.12 3kqz s LYS 367 Cb 0.08 -0.63 0.00 0.00 -1.46 0.00 0.00 37.83 35.83 3kqz s LYS 367 CO 0.81 0.10 -0.19 0.15 0.16 0.00 0.00 175.35 176.38 3kqz s LYS 368 N 0.08 3.11 -0.01 4.03 1.02 -1.26 -0.77 119.74 125.94 3kqz s LYS 368 Ca -0.01 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.21 3kqz s LYS 368 Cb -0.06 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 3kqz s LYS 368 CO -0.00 0.02 -0.14 0.42 -0.92 0.00 0.00 175.35 174.73 3kqz s ILE 369 N 0.77 1.08 -0.17 2.17 1.01 -0.14 0.17 121.20 126.09 3kqz s ILE 369 Ca -0.07 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 3kqz s ILE 369 Cb -0.16 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.41 3kqz s ILE 369 CO -0.00 0.31 -0.15 0.00 0.00 0.00 0.00 174.94 175.09 3kqz s ALA 370 N -0.26 2.49 -0.29 9.38 0.00 0.27 -0.57 121.76 132.78 3kqz s ALA 370 Ca 0.04 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 3kqz s ALA 370 Cb -0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3kqz s ALA 370 CO -0.00 -0.18 0.17 -0.51 0.00 0.00 0.00 175.76 175.23 3kqz s LEU 371 N 1.05 4.00 -0.20 0.00 1.43 -0.06 -0.76 118.68 124.15 3kqz s LEU 371 Ca -0.01 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3kqz s LEU 371 Cb -0.15 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.02 3kqz s LEU 371 CO -0.04 -0.10 -0.15 -0.69 0.23 0.00 0.00 176.35 175.60 3kqz s VAL 372 N 1.70 2.50 -0.07 -1.59 1.01 0.62 -1.16 120.40 123.41 3kqz s VAL 372 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3kqz s VAL 372 Cb -0.16 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3kqz s VAL 372 CO 0.09 0.49 -0.05 -0.83 0.00 0.00 0.00 175.10 174.79 3kqz s GLY 373 N 1.35 1.73 0.15 4.51 0.00 -0.96 -0.58 107.32 113.52 3kqz s GLY 373 Ca 0.05 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.59 3kqz s GLY 373 CO -0.10 -0.63 1.41 1.25 0.00 0.00 0.00 173.10 175.04 3kqz s LYS 374 N -0.79 4.31 -0.45 2.90 2.20 -0.71 -4.12 119.74 123.08 3kqz s LYS 374 Ca 0.12 2.15 0.09 0.00 -0.36 0.00 0.00 55.97 57.97 3kqz s LYS 374 Cb -0.11 -3.20 0.36 0.00 -1.51 0.00 0.00 37.83 33.37 3kqz s LYS 374 CO 0.02 -0.43 0.86 0.41 -0.36 0.00 0.00 175.35 175.84 3kqz n GLY 375 N 3.19 4.34 3.52 5.54 0.00 -1.26 -0.43 105.19 120.10 3kqz n GLY 375 Ca 0.10 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 3kqz n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqz s ILE 376 N -3.49 4.75 0.21 -0.61 -1.09 -1.08 -2.27 121.20 117.61 3kqz s ILE 376 Ca 0.43 0.21 0.07 0.00 -2.23 0.00 0.00 60.65 59.13 3kqz s ILE 376 Cb 0.34 -4.26 -0.10 0.00 -1.58 0.00 0.00 42.46 36.86 3kqz s ILE 376 CO -0.10 -0.66 1.47 0.71 -1.23 0.00 0.00 174.94 175.13 3kqz h THR 377 N 5.92 1.51 -3.53 2.92 1.35 -1.37 -1.26 112.91 118.45 3kqz h THR 377 Ca -0.25 -2.53 -0.25 0.00 -0.55 0.00 0.00 66.41 62.83 3kqz h THR 377 Cb 1.09 2.37 -0.30 0.00 -1.73 0.00 0.00 68.15 69.58 3kqz h THR 377 CO 0.92 0.73 -0.68 0.12 -0.25 0.00 0.00 175.52 176.37 3kqz s PHE 378 N -3.32 -0.04 -0.33 4.73 5.36 -1.26 -4.25 117.98 118.88 3kqz s PHE 378 Ca -0.01 0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 3kqz s PHE 378 Cb 0.11 -0.08 0.07 0.00 -0.34 0.00 0.00 43.02 42.79 3kqz s PHE 378 CO 0.80 -0.07 0.04 0.34 -1.46 0.00 0.00 175.22 174.87 3kqz s ASP 379 N 0.55 4.89 0.06 6.13 2.15 -1.09 -1.21 116.67 128.16 3kqz s ASP 379 Ca -0.04 -1.62 0.26 0.00 0.43 0.00 0.00 52.55 51.58 3kqz s ASP 379 Cb -0.06 -1.70 0.72 0.00 -0.30 0.00 0.00 42.92 41.57 3kqz s ASP 379 CO -0.02 -0.34 1.59 -1.54 -0.17 0.00 0.00 175.17 174.69 3kqz n SER 380 N 4.52 0.46 0.00 -0.34 3.41 -0.68 -4.76 113.62 116.23 3kqz n SER 380 Ca -0.08 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3kqz n SER 380 Cb 0.42 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3kqz n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqz n GLY 381 N 1.43 1.57 7.00 5.00 0.00 -1.26 -0.95 105.19 117.98 3kqz n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -2.00 -0.19 0.30 -0.02 0.00 -1.26 -2.53 105.19 99.49 3kqz n GLY 382 Ca 0.00 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.13 3kqz n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqz h TYR 383 N 0.00 0.00 0.00 1.61 0.05 -1.84 -0.70 116.97 116.10 3kqz h TYR 383 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 3kqz h TYR 383 Cb 0.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.76 3kqz h TYR 383 CO 0.00 0.00 3.27 0.09 -1.05 0.00 0.00 178.16 180.47 3kqz n ASN 384 N -4.22 6.70 -4.69 3.88 4.13 -1.17 -4.98 115.26 114.91 3kqz n ASN 384 Ca 0.00 -2.50 -0.40 0.00 1.68 0.00 0.00 54.58 53.36 3kqz n ASN 384 Cb 0.22 -1.37 0.02 0.00 -1.54 0.00 0.00 39.78 37.11 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqz n LEU 385 N 4.18 4.13 -4.56 3.41 7.94 -0.27 -4.46 117.00 127.36 3kqz n LEU 385 Ca 0.63 1.04 -0.39 0.00 -1.11 0.00 0.00 56.01 56.18 3kqz n LEU 385 Cb 0.21 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.64 3kqz n LEU 385 CO 0.81 -0.88 1.45 -0.54 -1.11 0.00 0.00 177.39 177.12 3kqz s LYS 386 N -2.39 3.41 -0.00 1.96 1.02 -0.13 -4.61 119.74 119.00 3kqz s LYS 386 Ca 0.65 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.68 3kqz s LYS 386 Cb -0.48 -5.29 -0.01 0.00 -0.52 0.00 0.00 37.83 31.53 3kqz s LYS 386 CO 0.55 -2.40 0.00 0.00 -0.92 0.00 0.00 175.35 172.58 3kqz n ALA 387 N 9.75 2.00 -1.78 5.17 0.00 -1.26 -4.68 120.51 129.71 3kqz n ALA 387 Ca 0.34 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 3kqz n ALA 387 Cb 0.50 0.18 -0.00 0.00 0.00 0.00 0.00 19.45 20.13 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz s ALA 388 N -2.02 3.60 -0.19 0.00 0.00 -1.26 -4.90 121.76 116.99 3kqz s ALA 388 Ca -0.00 1.58 -0.38 0.00 0.00 0.00 0.00 51.96 53.16 3kqz s ALA 388 Cb 0.00 -3.62 -0.18 0.00 0.00 0.00 0.00 23.12 19.32 3kqz s ALA 388 CO 0.02 -1.06 1.16 -2.30 0.00 0.00 0.00 175.76 173.58 3kqz n PRO 389 N 0.70 0.00 -0.59 0.00 -0.02 -1.26 -1.25 135.00 132.58 3kqz n PRO 389 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3kqz n PRO 389 Cb 0.39 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3kqz n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 390 N 2.29 0.73 0.14 -1.23 0.00 -1.26 -4.93 105.19 100.93 3kqz n GLY 390 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 3kqz n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqz h SER 391 N 0.00 0.00 -5.74 1.61 4.64 -1.53 -3.48 113.55 109.05 3kqz h SER 391 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3kqz h SER 391 Cb 0.00 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.24 3kqz h SER 391 CO 0.00 0.43 -0.74 0.23 -0.87 0.00 0.00 176.83 175.88 3kqz n MET 392 N -3.15 -7.04 0.27 4.77 2.81 -1.26 -4.86 117.12 108.66 3kqz n MET 392 Ca 0.01 0.83 0.13 0.00 -1.81 0.00 0.00 57.70 56.86 3kqz n MET 392 Cb 0.71 -5.85 0.80 0.00 -0.71 0.00 0.00 33.22 28.17 3kqz n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqz h ILE 393 N -2.19 0.71 0.00 2.02 2.10 -1.93 0.12 117.51 118.35 3kqz h ILE 393 Ca -0.58 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.36 3kqz h ILE 393 Cb 1.35 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 3kqz h ILE 393 CO 0.53 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.70 3kqz n ASP 394 N -4.12 0.16 -0.23 2.19 5.75 -1.26 -1.65 116.55 117.38 3kqz n ASP 394 Ca -0.02 0.53 0.13 0.00 -0.01 0.00 0.00 54.79 55.41 3kqz n ASP 394 Cb 0.12 -0.57 0.33 0.00 -1.03 0.00 0.00 41.12 39.98 3kqz n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kqz n LEU 395 N -1.66 1.04 0.00 -2.12 7.94 0.43 -4.53 117.00 118.09 3kqz n LEU 395 Ca 0.04 -0.27 0.08 0.00 -1.11 0.00 0.00 56.01 54.76 3kqz n LEU 395 Cb 0.24 -0.13 0.46 0.00 0.53 0.00 0.00 43.42 44.53 3kqz n LEU 395 CO 0.19 0.20 0.73 0.23 -1.11 0.00 0.00 177.39 177.63 3kqz n MET 396 N -0.71 0.37 0.29 1.96 2.81 -0.66 -0.92 117.12 120.26 3kqz n MET 396 Ca 0.11 0.08 0.20 0.00 -1.81 0.00 0.00 57.70 56.27 3kqz n MET 396 Cb 0.35 -1.50 0.99 0.00 -0.71 0.00 0.00 33.22 32.35 3kqz n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqz h LYS 397 N 0.00 0.00 0.00 0.03 2.10 -1.80 -2.51 116.57 114.40 3kqz h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqz h LYS 397 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3kqz h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqz n PHE 398 N -2.93 0.00 1.56 0.07 -0.00 -0.10 -3.94 117.46 112.12 3kqz n PHE 398 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.54 3kqz n PHE 398 Cb 0.13 -0.09 0.62 0.00 -0.00 0.00 0.00 39.48 40.14 3kqz n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqz n ASP 399 N -1.09 0.00 -0.96 5.98 2.03 -0.96 -0.84 116.55 120.72 3kqz n ASP 399 Ca 0.21 -0.91 0.08 0.00 0.52 0.00 0.00 54.79 54.68 3kqz n ASP 399 Cb 0.15 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.78 3kqz n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqz n MET 400 N -0.91 3.06 -0.24 -0.67 0.00 -0.48 -2.64 117.12 115.24 3kqz n MET 400 Ca 0.16 -2.46 0.22 0.00 0.00 0.00 0.00 57.70 55.61 3kqz n MET 400 Cb 0.07 -1.56 0.57 0.00 0.00 0.00 0.00 33.22 32.30 3kqz n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqz h SER 401 N 2.60 0.30 0.16 3.17 0.02 -1.16 0.13 113.55 118.77 3kqz h SER 401 Ca 0.00 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3kqz h SER 401 Cb 1.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3kqz h SER 401 CO 0.10 0.11 -0.08 1.23 -1.14 0.00 0.00 176.83 177.05 3kqz h GLY 402 N 0.30 -0.22 0.96 -3.77 0.00 -1.74 0.16 103.07 98.76 3kqz h GLY 402 Ca 0.47 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.90 3kqz h GLY 402 CO -0.15 -0.08 0.35 0.00 0.00 0.00 0.00 176.54 176.67 3kqz h ALA 404 N 1.21 1.36 -0.77 0.00 0.00 -0.60 -1.27 119.26 119.18 3kqz h ALA 404 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3kqz h ALA 404 Cb -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3kqz h ALA 404 CO -0.06 0.44 0.44 0.00 0.00 0.00 0.00 179.25 180.06 3kqz h ALA 405 N 1.44 0.99 -0.40 0.00 0.00 0.05 0.93 119.26 122.27 3kqz h ALA 405 Ca 0.42 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 3kqz h ALA 405 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kqz h ALA 405 CO -0.17 0.49 -0.26 0.28 0.00 0.00 0.00 179.25 179.59 3kqz h VAL 406 N 1.07 1.27 -0.05 0.00 2.07 -0.82 0.32 116.25 120.11 3kqz h VAL 406 Ca 0.27 -1.41 -0.21 0.00 0.82 0.00 0.00 66.70 66.18 3kqz h VAL 406 Cb 0.01 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3kqz h VAL 406 CO -0.05 0.47 -0.78 -0.07 0.02 0.00 0.00 177.57 177.16 3kqz h LEU 407 N 0.72 0.78 -1.17 2.57 3.38 -0.97 0.35 115.31 120.98 3kqz h LEU 407 Ca 0.09 -0.70 0.10 0.00 0.09 0.00 0.00 57.88 57.46 3kqz h LEU 407 Cb 0.80 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3kqz h LEU 407 CO 0.07 1.37 0.59 1.23 0.09 0.00 0.00 178.44 181.79 3kqz h GLY 408 N 0.26 1.34 0.92 0.83 0.00 -0.43 -0.69 103.07 105.30 3kqz h GLY 408 Ca -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3kqz h GLY 408 CO 0.16 0.20 0.07 0.00 0.00 0.00 0.00 176.54 176.97 3kqz h ALA 410 N 0.92 1.46 0.25 0.00 0.00 0.29 0.12 119.26 122.29 3kqz h ALA 410 Ca 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3kqz h ALA 410 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kqz h ALA 410 CO 0.01 -0.12 -0.12 -0.92 0.00 0.00 0.00 179.25 178.10 3kqz h TYR 411 N 0.64 -0.31 -0.16 0.00 3.20 -0.47 0.19 116.97 120.06 3kqz h TYR 411 Ca 0.53 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.42 3kqz h TYR 411 Cb 0.82 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3kqz h TYR 411 CO -0.06 -0.13 -0.01 0.00 -1.64 0.00 0.00 178.16 176.31 3kqz h VAL 413 N 0.03 1.15 -0.62 0.00 -1.51 -0.94 0.14 116.25 114.49 3kqz h VAL 413 Ca 0.08 -0.43 0.15 0.00 -1.23 0.00 0.00 66.70 65.27 3kqz h VAL 413 Cb 0.10 1.03 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 3kqz h VAL 413 CO -0.14 0.14 0.43 1.23 -1.23 0.00 0.00 177.57 178.00 3kqz h GLY 414 N 0.21 0.30 0.28 5.19 0.00 -0.35 0.30 103.07 109.01 3kqz h GLY 414 Ca 0.07 -0.08 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 3kqz h GLY 414 CO -0.01 0.03 -1.72 2.41 0.00 0.00 0.00 176.54 177.25 3kqz n THR 415 N -4.42 1.65 0.73 4.70 -1.04 -0.29 -4.12 114.28 111.49 3kqz n THR 415 Ca 0.12 -0.36 0.13 0.00 -2.04 0.00 0.00 64.05 61.90 3kqz n THR 415 Cb 0.56 -1.87 0.46 0.00 -1.82 0.00 0.00 70.33 67.66 3kqz n THR 415 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kqz n LEU 416 N -3.94 0.58 -3.70 -4.42 4.77 0.43 -4.97 117.00 105.74 3kqz n LEU 416 Ca -0.34 0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 55.89 3kqz n LEU 416 Cb 0.87 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3kqz n LEU 416 CO 0.29 -0.13 -0.08 0.29 -1.33 0.00 0.00 177.39 176.44 3kqz n LYS 417 N -2.04 -1.11 -1.06 3.23 5.02 0.10 -4.90 118.16 117.41 3kqz n LYS 417 Ca 0.06 0.57 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 3kqz n LYS 417 Cb 0.40 -3.64 0.13 0.00 -0.02 0.00 0.00 35.03 31.90 3kqz n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqz s PRO 418 N -5.69 1.63 0.31 1.97 0.04 -1.26 -4.98 135.00 127.01 3kqz s PRO 418 Ca 0.33 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 3kqz s PRO 418 Cb -0.14 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 3kqz s PRO 418 CO 0.88 -2.18 0.59 -1.21 0.04 0.00 0.00 177.00 175.12 3kqz s GLU 419 N -4.42 3.67 -0.72 4.56 2.02 -1.26 -4.57 118.70 117.97 3kqz s GLU 419 Ca 0.69 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.78 3kqz s GLU 419 Cb -0.24 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.39 3kqz s GLU 419 CO 0.53 0.17 0.00 0.09 0.02 0.00 0.00 175.26 176.07 3kqz n ASN 420 N -0.96 -4.81 -4.35 -0.19 3.02 -1.25 -4.98 115.26 101.75 3kqz n ASN 420 Ca -0.01 0.17 -0.27 0.00 -0.03 0.00 0.00 54.58 54.44 3kqz n ASN 420 Cb 0.54 -2.91 -0.13 0.00 -0.61 0.00 0.00 39.78 36.67 3kqz n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kqz s VAL 421 N -1.92 2.05 -0.14 2.41 -7.23 -1.26 0.52 120.40 114.83 3kqz s VAL 421 Ca 0.00 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3kqz s VAL 421 Cb 0.00 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 3kqz s VAL 421 CO 0.00 0.09 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.00 3kqz s GLU 422 N -1.86 3.16 -0.08 4.82 2.12 0.05 -1.57 118.70 125.35 3kqz s GLU 422 Ca 0.11 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.69 3kqz s GLU 422 Cb -0.10 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 3kqz s GLU 422 CO 0.05 0.07 -0.21 0.42 -0.54 0.00 0.00 175.26 175.05 3kqz s ILE 423 N 0.66 2.41 -0.20 -3.70 -1.09 0.48 -0.97 121.20 118.79 3kqz s ILE 423 Ca -0.09 -0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 3kqz s ILE 423 Cb -0.16 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3kqz s ILE 423 CO 0.02 0.56 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.26 3kqz s HIS 424 N -0.06 2.97 -0.44 3.97 3.76 0.26 -0.59 115.29 125.16 3kqz s HIS 424 Ca -0.05 -0.68 -0.14 0.00 -0.15 0.00 0.00 55.06 54.03 3kqz s HIS 424 Cb -0.14 -2.06 0.05 0.00 1.11 0.00 0.00 32.58 31.54 3kqz s HIS 424 CO 0.04 -0.36 0.34 -0.06 -0.85 0.00 0.00 174.74 173.85 3kqz s PHE 425 N 1.10 3.25 -0.16 1.40 0.08 0.16 -0.88 117.98 122.94 3kqz s PHE 425 Ca 0.02 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.18 3kqz s PHE 425 Cb -0.15 -2.92 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 3kqz s PHE 425 CO 0.00 -0.73 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.77 3kqz s LEU 426 N 1.63 1.78 -0.10 -0.37 1.43 -0.31 -0.92 118.68 121.82 3kqz s LEU 426 Ca 0.04 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 3kqz s LEU 426 Cb -0.22 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 44.90 3kqz s LEU 426 CO 0.07 -0.11 -0.19 -0.55 0.23 0.00 0.00 176.35 175.80 3kqz s SER 427 N 1.51 2.69 -0.83 2.29 0.15 0.01 -2.25 113.70 117.27 3kqz s SER 427 Ca 0.03 -0.49 -0.22 0.00 0.70 0.00 0.00 55.95 55.97 3kqz s SER 427 Cb -0.14 -1.23 0.08 0.00 -1.71 0.00 0.00 66.02 63.02 3kqz s SER 427 CO -0.09 0.09 1.15 0.00 1.20 0.00 0.00 173.24 175.59 3kqz s ALA 428 N 0.62 3.08 -0.03 5.45 0.00 -1.26 -0.55 121.76 129.08 3kqz s ALA 428 Ca -0.13 -2.18 -0.21 0.00 0.00 0.00 0.00 51.96 49.43 3kqz s ALA 428 Cb -0.16 -4.10 -0.05 0.00 0.00 0.00 0.00 23.12 18.81 3kqz s ALA 428 CO 0.04 -3.07 0.63 0.08 0.00 0.00 0.00 175.76 173.44 3kqz s VAL 429 N 3.98 4.95 0.08 0.00 1.01 -0.00 -4.10 120.40 126.32 3kqz s VAL 429 Ca 0.32 1.31 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 3kqz s VAL 429 Cb -0.08 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3kqz s VAL 429 CO 0.00 0.36 0.17 0.00 0.00 0.00 0.00 175.10 175.63 3kqz s GLU 431 N -2.02 1.13 -0.70 0.00 2.12 -1.26 -1.03 118.70 116.94 3kqz s GLU 431 Ca 0.03 -0.28 -0.16 0.00 0.36 0.00 0.00 54.97 54.92 3kqz s GLU 431 Cb -0.01 -1.02 0.17 0.00 0.26 0.00 0.00 34.13 33.52 3kqz s GLU 431 CO 0.03 0.04 0.69 1.21 -0.54 0.00 0.00 175.26 176.69 3kqz s ASN 432 N 0.50 6.48 0.33 -1.70 2.47 -0.35 -4.29 114.94 118.38 3kqz s ASN 432 Ca -0.08 -2.16 0.10 0.00 0.42 0.00 0.00 52.86 51.13 3kqz s ASN 432 Cb -0.12 -2.24 -0.06 0.00 -1.45 0.00 0.00 41.25 37.38 3kqz s ASN 432 CO 0.01 -0.78 -0.08 -0.04 -3.72 0.00 0.00 177.10 172.49 3kqz s MET 433 N 1.20 1.88 -0.16 0.43 -1.94 -1.26 -1.69 119.30 117.76 3kqz s MET 433 Ca 0.13 -1.84 -0.06 0.00 -1.71 0.00 0.00 55.69 52.20 3kqz s MET 433 Cb -0.19 -1.79 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 3kqz s MET 433 CO -0.03 0.18 0.04 0.08 -0.01 0.00 0.00 175.02 175.28 3kqz s VAL 434 N -2.56 4.64 -0.00 -6.03 1.01 -1.26 -4.61 120.40 111.59 3kqz s VAL 434 Ca 0.33 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 3kqz s VAL 434 Cb 0.00 -3.06 0.10 0.00 0.00 0.00 0.00 36.38 33.43 3kqz s VAL 434 CO 0.17 0.50 1.04 -0.55 0.00 0.00 0.00 175.10 176.26 3kqz s SER 435 N 0.08 -0.22 0.63 3.32 0.15 -1.26 -4.99 113.70 111.40 3kqz s SER 435 Ca 0.04 -0.13 0.35 0.00 0.70 0.00 0.00 55.95 56.92 3kqz s SER 435 Cb -0.12 0.33 2.02 0.00 -1.71 0.00 0.00 66.02 66.53 3kqz s SER 435 CO 0.01 -0.56 2.25 0.07 1.20 0.00 0.00 173.24 176.21 3kqz h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.97 -2.63 116.57 121.48 3kqz h LYS 436 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3kqz h LYS 436 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3kqz h LYS 436 CO 0.27 0.00 -0.15 0.09 -2.00 0.00 0.00 179.45 177.66 3kqz n ASN 437 N -3.48 2.01 -4.76 7.07 5.03 -1.26 -4.97 115.26 114.89 3kqz n ASN 437 Ca -0.02 -1.55 -0.32 0.00 0.87 0.00 0.00 54.58 53.56 3kqz n ASN 437 Cb 0.14 0.13 0.08 0.00 -1.02 0.00 0.00 39.78 39.11 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqz s SER 438 N -2.20 4.57 0.53 6.41 0.01 -1.00 -3.62 113.70 118.41 3kqz s SER 438 Ca 0.28 1.91 -0.20 0.00 1.31 0.00 0.00 55.95 59.26 3kqz s SER 438 Cb 0.20 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 3kqz s SER 438 CO 0.41 -2.00 1.12 -0.72 0.41 0.00 0.00 173.24 172.46 3kqz s TYR 439 N -2.70 2.72 0.04 2.43 1.13 -1.26 -4.86 117.35 114.85 3kqz s TYR 439 Ca 0.64 1.55 0.08 0.00 -1.41 0.00 0.00 57.07 57.93 3kqz s TYR 439 Cb -0.19 -3.26 -0.03 0.00 -1.10 0.00 0.00 41.96 37.38 3kqz s TYR 439 CO 0.52 -1.47 -0.24 1.03 -2.51 0.00 0.00 175.55 172.88 3kqz s ARG 440 N -3.27 1.91 0.20 -3.49 0.52 -1.26 -4.57 118.95 108.99 3kqz s ARG 440 Ca 0.72 -1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 3kqz s ARG 440 Cb -0.23 -2.05 -0.17 0.00 0.52 0.00 0.00 34.95 33.02 3kqz s ARG 440 CO 0.26 0.53 0.63 -2.30 0.02 0.00 0.00 175.30 174.43 3kqz n PRO 441 N 1.76 0.22 0.00 3.54 -0.02 -1.26 -0.07 135.00 139.16 3kqz n PRO 441 Ca -0.17 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3kqz n PRO 441 Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 3kqz n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 442 N 1.86 2.96 3.64 -1.23 0.00 0.53 -5.00 105.19 107.94 3kqz n GLY 442 Ca 0.17 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3kqz n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqz n ASP 443 N 0.46 1.92 -4.49 1.61 9.92 0.89 -4.27 116.55 122.59 3kqz n ASP 443 Ca 0.00 1.19 -0.36 0.00 -0.53 0.00 0.00 54.79 55.09 3kqz n ASP 443 Cb 0.00 -1.37 -0.12 0.00 -0.64 0.00 0.00 41.12 38.99 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqz s ILE 444 N -1.06 4.46 0.25 0.53 1.01 -1.26 -0.42 121.20 124.72 3kqz s ILE 444 Ca 0.57 -0.13 0.10 0.00 0.00 0.00 0.00 60.65 61.20 3kqz s ILE 444 Cb -0.65 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3kqz s ILE 444 CO 0.61 0.36 -0.18 0.27 0.00 0.00 0.00 174.94 176.00 3kqz s ILE 445 N 1.35 2.18 -0.19 2.92 -4.36 -0.36 -4.91 121.20 117.83 3kqz s ILE 445 Ca 0.05 -2.31 0.01 0.00 -0.26 0.00 0.00 60.65 58.15 3kqz s ILE 445 Cb -0.15 -2.18 0.03 0.00 1.25 0.00 0.00 42.46 41.41 3kqz s ILE 445 CO 0.04 -0.46 -0.16 -0.89 0.24 0.00 0.00 174.94 173.71 3kqz s THR 446 N -2.63 1.93 0.92 8.37 2.01 -1.26 0.38 115.64 125.36 3kqz s THR 446 Ca 0.26 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 3kqz s THR 446 Cb -0.04 -1.85 0.14 0.00 0.01 0.00 0.00 72.50 70.76 3kqz s THR 446 CO 0.12 0.36 1.11 0.00 -0.69 0.00 0.00 174.62 175.52 3kqz s ALA 447 N 1.30 1.56 0.35 7.40 0.00 0.11 -2.74 121.76 129.75 3kqz s ALA 447 Ca 0.01 -0.38 0.31 0.00 0.00 0.00 0.00 51.96 51.91 3kqz s ALA 447 Cb -0.15 -3.09 1.51 0.00 0.00 0.00 0.00 23.12 21.39 3kqz s ALA 447 CO -0.10 -2.38 2.07 0.66 0.00 0.00 0.00 175.76 176.00 3kqz h SER 448 N -1.56 0.00 -0.20 0.00 4.64 -1.82 0.02 113.55 114.63 3kqz h SER 448 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3kqz h SER 448 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3kqz h SER 448 CO 0.59 0.09 0.00 -0.46 -0.87 0.00 0.00 176.83 176.19 3kqz n ASN 449 N -3.42 1.73 0.00 4.97 0.23 -1.26 -4.90 115.26 112.61 3kqz n ASN 449 Ca -0.01 -2.12 0.00 0.00 -0.53 0.00 0.00 54.58 51.91 3kqz n ASN 449 Cb 0.25 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqz n GLY 450 N 0.56 1.82 3.71 4.83 0.00 -0.01 -5.03 105.19 111.07 3kqz n GLY 450 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3kqz n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s LYS 451 N -0.36 4.43 0.06 1.61 1.02 -1.26 -4.72 119.74 120.52 3kqz s LYS 451 Ca 0.00 1.75 -0.21 0.00 0.02 0.00 0.00 55.97 57.52 3kqz s LYS 451 Cb 0.00 -3.38 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 3kqz s LYS 451 CO 0.00 -0.28 0.64 0.95 -0.92 0.00 0.00 175.35 175.74 3kqz s THR 452 N 1.21 4.73 -0.14 2.17 -4.23 -1.26 0.10 115.64 118.22 3kqz s THR 452 Ca 0.58 1.36 0.02 0.00 -1.18 0.00 0.00 61.69 62.47 3kqz s THR 452 Cb -0.29 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.59 3kqz s THR 452 CO 0.28 0.48 -0.19 -0.63 -0.54 0.00 0.00 174.62 174.03 3kqz s ILE 453 N -0.68 1.84 -0.21 2.99 1.01 0.16 -1.28 121.20 125.04 3kqz s ILE 453 Ca 0.32 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3kqz s ILE 453 Cb -0.20 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3kqz s ILE 453 CO 0.20 0.51 1.03 -0.70 0.00 0.00 0.00 174.94 175.98 3kqz s GLU 454 N 1.05 4.29 -0.30 2.79 2.12 0.08 -1.22 118.70 127.50 3kqz s GLU 454 Ca -0.03 1.35 -0.27 0.00 0.36 0.00 0.00 54.97 56.38 3kqz s GLU 454 Cb -0.14 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3kqz s GLU 454 CO -0.05 -0.57 0.99 0.08 -0.54 0.00 0.00 175.26 175.17 3kqz s VAL 455 N 2.98 4.61 -0.56 3.70 1.01 0.44 -0.71 120.40 131.88 3kqz s VAL 455 Ca 0.44 1.63 0.21 0.00 0.00 0.00 0.00 61.98 64.27 3kqz s VAL 455 Cb -0.16 -4.33 -0.27 0.00 0.00 0.00 0.00 36.38 31.62 3kqz s VAL 455 CO 0.08 -0.37 0.70 0.61 0.00 0.00 0.00 175.10 176.12 3kqz n GLY 456 N 3.88 -0.97 3.56 4.51 0.00 -1.26 0.20 105.19 115.10 3kqz n GLY 456 Ca 0.10 -0.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 3kqz n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqz s ASN 457 N -3.63 -0.92 0.00 1.61 3.84 -1.26 -4.74 114.94 109.84 3kqz s ASN 457 Ca 0.01 1.27 0.25 0.00 0.21 0.00 0.00 52.86 54.60 3kqz s ASN 457 Cb 0.15 2.00 1.20 0.00 -0.55 0.00 0.00 41.25 44.05 3kqz s ASN 457 CO 0.87 -0.18 1.83 0.35 -2.79 0.00 0.00 177.10 177.18 3kqz n THR 458 N 5.18 0.23 1.29 -5.21 -2.24 -1.26 -1.63 114.28 110.64 3kqz n THR 458 Ca -0.11 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 3kqz n THR 458 Cb 0.51 -0.64 0.41 0.00 -2.10 0.00 0.00 70.33 68.51 3kqz n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqz n ASP 459 N -1.36 1.86 -2.40 3.42 2.03 -1.05 -3.31 116.55 115.74 3kqz n ASP 459 Ca 0.10 -1.65 -0.30 0.00 0.52 0.00 0.00 54.79 53.45 3kqz n ASP 459 Cb 0.23 -0.04 0.03 0.00 -0.72 0.00 0.00 41.12 40.62 3kqz n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqz n ALA 460 N 0.45 6.13 0.12 -1.67 0.00 -0.65 -4.65 120.51 120.24 3kqz n ALA 460 Ca 0.18 -3.12 0.02 0.00 0.00 0.00 0.00 53.44 50.52 3kqz n ALA 460 Cb 0.40 -1.82 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 3kqz n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqz h GLU 461 N 2.33 0.00 -0.57 0.00 9.09 -1.78 -3.31 114.58 120.34 3kqz h GLU 461 Ca 0.48 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.84 3kqz h GLU 461 Cb 0.63 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.70 3kqz h GLU 461 CO 1.21 0.50 0.18 0.78 0.05 0.00 0.00 179.01 181.73 3kqz h GLY 462 N 3.50 0.96 2.00 1.06 0.00 -1.90 -2.04 103.07 106.65 3kqz h GLY 462 Ca -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3kqz h GLY 462 CO 0.07 0.53 -0.09 0.07 0.00 0.00 0.00 176.54 177.12 3kqz h ARG 463 N 0.81 0.00 -0.14 4.80 0.11 -1.95 0.14 114.38 118.15 3kqz h ARG 463 Ca 0.19 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.11 3kqz h ARG 463 Cb 0.29 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.37 3kqz h ARG 463 CO -0.01 0.09 -0.53 -0.07 0.10 0.00 0.00 179.97 179.55 3kqz h LEU 464 N 0.00 0.71 -0.48 0.08 3.38 -1.52 0.35 115.31 117.83 3kqz h LEU 464 Ca -0.00 -0.61 -0.16 0.00 0.09 0.00 0.00 57.88 57.20 3kqz h LEU 464 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kqz h LEU 464 CO 0.01 1.21 -0.47 0.71 0.09 0.00 0.00 178.44 179.99 3kqz h THR 465 N 0.26 1.29 -0.52 0.22 1.35 -0.95 -2.99 112.91 111.57 3kqz h THR 465 Ca -0.03 -1.66 -0.10 0.00 -0.55 0.00 0.00 66.41 64.08 3kqz h THR 465 Cb 1.16 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 3kqz h THR 465 CO 0.11 0.53 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.78 3kqz h LEU 466 N 0.58 0.93 -0.77 3.87 3.38 -0.67 -0.84 115.31 121.78 3kqz h LEU 466 Ca 0.03 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.84 3kqz h LEU 466 Cb 1.03 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.40 3kqz h LEU 466 CO 0.10 1.02 -0.42 0.00 0.09 0.00 0.00 178.44 179.23 3kqz h ALA 467 N 1.07 -0.14 -0.16 1.53 0.00 -0.15 0.24 119.26 121.65 3kqz h ALA 467 Ca 0.14 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 3kqz h ALA 467 Cb 0.59 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3kqz h ALA 467 CO 0.04 -0.75 -0.58 -0.44 0.00 0.00 0.00 179.25 177.52 3kqz h ASP 468 N -0.11 0.56 0.04 0.00 3.32 -1.40 -2.43 116.42 116.39 3kqz h ASP 468 Ca 0.24 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kqz h ASP 468 Cb 0.56 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kqz h ASP 468 CO -0.82 1.01 -0.04 0.00 -1.72 0.00 0.00 179.24 177.68 3kqz h ALA 469 N 0.99 1.85 0.21 3.45 0.00 -0.20 -1.95 119.26 123.61 3kqz h ALA 469 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 3kqz h ALA 469 Cb 1.12 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3kqz h ALA 469 CO 0.11 0.04 -1.51 -0.07 0.00 0.00 0.00 179.25 177.82 3kqz h LEU 470 N 0.00 0.70 0.07 0.00 3.38 -0.10 0.21 115.31 119.57 3kqz h LEU 470 Ca -0.00 -0.82 -0.00 0.00 0.09 0.00 0.00 57.88 57.15 3kqz h LEU 470 Cb 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3kqz h LEU 470 CO 0.00 1.66 -0.03 0.58 0.09 0.00 0.00 178.44 180.74 3kqz h VAL 471 N 0.12 1.03 -0.51 1.22 2.07 -1.39 0.20 116.25 118.99 3kqz h VAL 471 Ca -0.26 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3kqz h VAL 471 Cb 2.12 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 33.07 3kqz h VAL 471 CO 0.24 0.08 0.13 0.22 0.02 0.00 0.00 177.57 178.26 3kqz h TYR 472 N -0.24 0.21 -0.57 1.57 3.20 -1.33 -1.01 116.97 118.81 3kqz h TYR 472 Ca -0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 3kqz h TYR 472 Cb 0.21 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3kqz h TYR 472 CO -0.03 0.02 0.16 0.00 -1.64 0.00 0.00 178.16 176.68 3kqz h ALA 473 N 1.38 0.75 -0.64 1.82 0.00 -0.02 -2.61 119.26 119.95 3kqz h ALA 473 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kqz h ALA 473 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3kqz h ALA 473 CO -0.31 0.44 0.26 1.49 0.00 0.00 0.00 179.25 181.13 3kqz h GLU 474 N 0.82 0.92 0.00 0.00 4.81 -0.13 -2.28 114.58 118.73 3kqz h GLU 474 Ca 0.18 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3kqz h GLU 474 Cb 0.32 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3kqz h GLU 474 CO -0.00 0.75 0.00 1.63 -0.73 0.00 0.00 179.01 180.66 3kqz n LYS 475 N -4.32 0.15 0.12 1.92 5.02 -0.43 -1.59 118.16 119.04 3kqz n LYS 475 Ca 0.06 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 57.02 3kqz n LYS 475 Cb 0.17 -1.90 0.43 0.00 -0.02 0.00 0.00 35.03 33.71 3kqz n LYS 475 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kqz h LEU 476 N 0.00 0.00 -2.71 -0.35 3.38 -1.33 -3.48 115.31 110.82 3kqz h LEU 476 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kqz h LEU 476 Cb 0.14 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.96 3kqz h LEU 476 CO 0.00 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.82 3kqz n GLY 477 N 0.85 -0.29 3.76 0.83 0.00 -0.62 -5.05 105.19 104.66 3kqz n GLY 477 Ca 0.04 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3kqz n GLY 477 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s VAL 478 N -3.14 2.68 -0.12 1.61 0.11 -1.26 -4.96 120.40 115.31 3kqz s VAL 478 Ca 0.17 -1.63 0.17 0.00 -2.93 0.00 0.00 61.98 57.76 3kqz s VAL 478 Cb -0.02 -2.99 -0.22 0.00 -1.53 0.00 0.00 36.38 31.62 3kqz s VAL 478 CO 0.37 -0.08 0.48 0.47 -3.33 0.00 0.00 175.10 173.01 3kqz n ASP 479 N -1.26 0.47 -3.82 3.54 8.00 0.44 -4.89 116.55 119.03 3kqz n ASP 479 Ca -0.01 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.55 3kqz n ASP 479 Cb 0.63 0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 42.14 3kqz n ASP 479 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kqz s TYR 480 N -2.74 0.24 -0.17 1.24 2.02 -0.99 -4.04 117.35 112.91 3kqz s TYR 480 Ca -0.06 0.02 -0.04 0.00 -0.37 0.00 0.00 57.07 56.62 3kqz s TYR 480 Cb 0.08 -0.33 -0.02 0.00 -0.40 0.00 0.00 41.96 41.28 3kqz s TYR 480 CO 0.83 -0.10 -0.04 0.42 -1.57 0.00 0.00 175.55 175.09 3kqz s ILE 481 N 0.88 3.70 -0.15 2.71 1.01 -0.59 -0.57 121.20 128.20 3kqz s ILE 481 Ca -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.17 3kqz s ILE 481 Cb -0.12 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.73 3kqz s ILE 481 CO -0.02 0.47 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 3kqz s VAL 482 N 0.69 1.93 0.10 2.92 1.01 0.06 -0.80 120.40 126.31 3kqz s VAL 482 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3kqz s VAL 482 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3kqz s VAL 482 CO 0.02 0.52 0.10 1.51 0.00 0.00 0.00 175.10 177.26 3kqz s ASP 483 N 1.05 5.59 -0.02 3.32 1.47 0.15 -0.28 116.67 127.94 3kqz s ASP 483 Ca -0.02 -0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.70 3kqz s ASP 483 Cb -0.14 -1.51 0.02 0.00 -0.34 0.00 0.00 42.92 40.95 3kqz s ASP 483 CO -0.06 0.15 0.00 -0.51 0.68 0.00 0.00 175.17 175.43 3kqz s ILE 484 N -1.47 0.15 -0.26 2.11 2.07 0.25 -0.48 121.20 123.58 3kqz s ILE 484 Ca 0.30 0.08 -0.23 0.00 -1.41 0.00 0.00 60.65 59.39 3kqz s ILE 484 Cb -0.12 -0.23 0.07 0.00 0.13 0.00 0.00 42.46 42.31 3kqz s ILE 484 CO 0.23 0.13 0.68 0.00 -1.91 0.00 0.00 174.94 174.06 3kqz s ALA 485 N 0.88 -1.70 -1.32 1.50 0.00 -0.65 -1.74 121.76 118.74 3kqz s ALA 485 Ca -0.09 1.97 -0.18 0.00 0.00 0.00 0.00 51.96 53.67 3kqz s ALA 485 Cb -0.12 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.91 3kqz s ALA 485 CO -0.02 -0.33 1.85 0.25 0.00 0.00 0.00 175.76 177.51 3kqz n THR 486 N 2.89 3.72 -0.12 0.00 -2.24 -1.26 -0.64 114.28 116.63 3kqz n THR 486 Ca -0.15 -3.75 -0.23 0.00 -2.27 0.00 0.00 64.05 57.65 3kqz n THR 486 Cb 0.56 -2.39 -0.09 0.00 -2.10 0.00 0.00 70.33 66.30 3kqz n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kqz n LEU 487 N 8.25 1.91 -3.99 3.22 7.94 -1.26 -4.71 117.00 128.36 3kqz n LEU 487 Ca 0.49 0.39 -0.27 0.00 -1.11 0.00 0.00 56.01 55.52 3kqz n LEU 487 Cb 0.45 -0.87 -0.17 0.00 0.53 0.00 0.00 43.42 43.36 3kqz n LEU 487 CO 0.79 0.29 -0.47 0.42 -1.11 0.00 0.00 177.39 177.32 3kqz s THR 488 N -2.47 1.22 0.50 1.96 -4.23 -1.26 -4.97 115.64 106.40 3kqz s THR 488 Ca -0.32 -0.46 0.21 0.00 -1.18 0.00 0.00 61.69 59.93 3kqz s THR 488 Cb 0.09 -1.16 0.36 0.00 1.34 0.00 0.00 72.50 73.13 3kqz s THR 488 CO 0.50 0.39 2.02 1.23 -0.54 0.00 0.00 174.62 178.22 3kqz h GLY 489 N 7.64 0.15 0.40 3.99 0.00 -1.93 -1.20 103.07 112.12 3kqz h GLY 489 Ca -0.31 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.06 3kqz h GLY 489 CO 0.46 0.02 0.71 0.00 0.00 0.00 0.00 176.54 177.74 3kqz h ALA 490 N 1.78 2.03 -0.28 3.60 0.00 -1.96 -0.81 119.26 123.61 3kqz h ALA 490 Ca 0.21 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3kqz h ALA 490 Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3kqz h ALA 490 CO -0.02 -0.88 0.21 0.52 0.00 0.00 0.00 179.25 179.08 3kqz h MET 491 N 0.00 0.00 0.00 0.00 2.86 -1.60 0.73 114.93 116.92 3kqz h MET 491 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3kqz h MET 491 Cb 1.58 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.23 3kqz h MET 491 CO -0.00 0.00 -0.08 -0.07 1.06 0.00 0.00 176.91 177.82 3kqz h LEU 492 N 0.00 0.00 0.00 1.22 3.38 -1.35 0.18 115.31 118.73 3kqz h LEU 492 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kqz h LEU 492 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kqz h LEU 492 CO -0.00 0.08 -1.22 -1.22 0.09 0.00 0.00 178.44 176.16 3kqz n TYR 493 N -3.29 0.00 0.00 1.13 4.02 0.20 -3.62 117.16 115.60 3kqz n TYR 493 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3kqz n TYR 493 Cb 0.29 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 3kqz n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqz n SER 494 N -1.67 0.00 -0.00 7.72 3.41 -0.92 -4.83 113.62 117.32 3kqz n SER 494 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3kqz n SER 494 Cb 0.38 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.79 3kqz n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 495 N -2.41 0.50 0.00 1.04 4.77 -0.49 -5.07 117.00 115.35 3kqz n LEU 495 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3kqz n LEU 495 Cb 0.00 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kqz n LEU 495 CO 0.00 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3kqz n GLY 496 N 1.44 -0.03 0.72 -0.72 0.00 0.50 -4.26 105.19 102.83 3kqz n GLY 496 Ca -0.13 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.56 3kqz n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqz n THR 497 N 0.00 0.00 -0.11 2.61 -2.24 -1.26 -4.36 114.28 108.93 3kqz n THR 497 Ca 0.00 -0.37 -0.23 0.00 -2.27 0.00 0.00 64.05 61.18 3kqz n THR 497 Cb 0.00 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.20 3kqz n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqz n SER 498 N 0.73 1.55 -4.76 3.42 7.64 -1.26 -4.28 113.62 116.66 3kqz n SER 498 Ca 0.16 0.25 -0.36 0.00 1.01 0.00 0.00 58.87 59.93 3kqz n SER 498 Cb 0.49 -0.62 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqz s TYR 499 N -2.39 3.40 0.58 1.43 4.12 -1.26 -4.61 117.35 118.61 3kqz s TYR 499 Ca -0.30 0.32 -0.07 0.00 0.02 0.00 0.00 57.07 57.04 3kqz s TYR 499 Cb 0.11 -1.96 -0.01 0.00 -1.52 0.00 0.00 41.96 38.58 3kqz s TYR 499 CO 0.38 0.49 0.92 0.00 0.02 0.00 0.00 175.55 177.36 3kqz s ALA 500 N -0.51 3.24 -0.09 3.71 0.00 -0.64 -4.58 121.76 122.88 3kqz s ALA 500 Ca 0.11 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 3kqz s ALA 500 Cb -0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3kqz s ALA 500 CO 0.02 -0.68 0.21 0.20 0.00 0.00 0.00 175.76 175.51 3kqz s GLY 501 N -4.23 2.25 -0.07 0.00 0.00 -1.02 -0.12 107.32 104.14 3kqz s GLY 501 Ca 0.53 -0.52 0.05 0.00 0.00 0.00 0.00 44.72 44.77 3kqz s GLY 501 CO 0.48 -0.22 -0.24 0.54 0.00 0.00 0.00 173.10 173.66 3kqz s VAL 502 N -1.00 1.98 0.17 1.40 0.11 -0.54 -0.01 120.40 122.50 3kqz s VAL 502 Ca 0.17 -1.01 0.07 0.00 -2.93 0.00 0.00 61.98 58.29 3kqz s VAL 502 Cb -0.13 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 3kqz s VAL 502 CO 0.06 0.55 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.87 3kqz s PHE 503 N 0.02 1.66 -0.09 1.54 0.08 0.23 -0.28 117.98 121.14 3kqz s PHE 503 Ca -0.08 -0.54 -0.33 0.00 0.12 0.00 0.00 56.93 56.10 3kqz s PHE 503 Cb -0.15 -0.81 0.13 0.00 -0.57 0.00 0.00 43.02 41.62 3kqz s PHE 503 CO 0.05 0.29 1.25 0.20 -0.10 0.00 0.00 175.22 176.91 3kqz s GLY 504 N -2.88 -0.36 -0.07 4.36 0.00 -1.26 -0.29 107.32 106.83 3kqz s GLY 504 Ca 0.17 1.11 0.20 0.00 0.00 0.00 0.00 44.72 46.19 3kqz s GLY 504 CO 0.06 0.31 1.58 1.16 0.00 0.00 0.00 173.10 176.20 3kqz n ASN 505 N -0.30 4.38 -3.66 1.64 0.23 -0.31 -4.80 115.26 112.44 3kqz n ASN 505 Ca -0.04 -2.27 -0.07 0.00 -0.53 0.00 0.00 54.58 51.66 3kqz n ASN 505 Cb 0.61 -0.53 -0.08 0.00 -2.08 0.00 0.00 39.78 37.69 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 506 N -0.97 -0.48 0.20 0.53 3.84 -1.26 -4.84 114.94 111.96 3kqz s ASN 506 Ca 0.49 1.12 -0.06 0.00 0.21 0.00 0.00 52.86 54.62 3kqz s ASN 506 Cb 0.29 1.50 0.15 0.00 -0.55 0.00 0.00 41.25 42.63 3kqz s ASN 506 CO 0.27 -0.23 1.65 -0.08 -2.79 0.00 0.00 177.10 175.92 3kqz h GLU 507 N 8.01 0.92 -0.34 0.43 4.81 -1.96 -2.22 114.58 124.23 3kqz h GLU 507 Ca -0.18 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 3kqz h GLU 507 Cb 1.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3kqz h GLU 507 CO 0.13 0.97 0.02 0.93 -0.73 0.00 0.00 179.01 180.33 3kqz h GLU 508 N 0.82 0.60 -0.64 1.92 3.07 -1.98 -0.73 114.58 117.63 3kqz h GLU 508 Ca 0.13 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3kqz h GLU 508 Cb 0.63 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 3kqz h GLU 508 CO 0.04 0.70 0.37 1.25 -1.40 0.00 0.00 179.01 179.98 3kqz h LEU 509 N 0.41 0.79 -0.52 1.33 5.85 -1.93 0.20 115.31 121.44 3kqz h LEU 509 Ca 0.10 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3kqz h LEU 509 Cb 0.42 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3kqz h LEU 509 CO 0.01 0.64 0.24 0.40 -0.34 0.00 0.00 178.44 179.39 3kqz h ILE 510 N 0.88 1.20 -0.38 4.05 2.04 -1.20 -0.23 117.51 123.88 3kqz h ILE 510 Ca 0.23 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3kqz h ILE 510 Cb 0.01 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3kqz h ILE 510 CO -0.04 0.23 0.07 0.78 0.00 0.00 0.00 178.15 179.19 3kqz h ASN 511 N 0.70 0.52 -0.39 1.72 2.35 -0.51 0.96 115.58 120.92 3kqz h ASN 511 Ca 0.18 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3kqz h ASN 511 Cb 0.15 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3kqz h ASN 511 CO -0.02 0.54 0.12 0.11 -1.65 0.00 0.00 177.43 176.53 3kqz h LYS 512 N 0.55 0.61 -0.86 0.81 1.57 0.16 -0.95 116.57 118.45 3kqz h LYS 512 Ca 0.13 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqz h LYS 512 Cb 0.25 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3kqz h LYS 512 CO 0.00 0.61 0.56 0.82 -0.57 0.00 0.00 179.45 180.87 3kqz h ILE 513 N 0.49 1.23 -0.71 1.86 2.04 -0.22 0.63 117.51 122.83 3kqz h ILE 513 Ca 0.13 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3kqz h ILE 513 Cb 0.26 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 3kqz h ILE 513 CO -0.00 0.22 0.17 -0.07 0.00 0.00 0.00 178.15 178.47 3kqz h LEU 514 N 1.18 1.09 -0.81 1.44 3.38 -0.65 0.36 115.31 121.29 3kqz h LEU 514 Ca 0.31 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3kqz h LEU 514 Cb -0.11 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.32 3kqz h LEU 514 CO -0.07 1.04 0.25 1.56 0.09 0.00 0.00 178.44 181.31 3kqz h GLN 515 N 1.08 1.13 -0.01 1.13 4.20 -0.76 -1.09 115.11 120.79 3kqz h GLN 515 Ca 0.22 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3kqz h GLN 515 Cb 0.38 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3kqz h GLN 515 CO 0.00 0.95 -0.55 0.77 -0.67 0.00 0.00 178.83 179.34 3kqz h SER 516 N 1.09 0.05 -0.87 1.46 0.02 -0.28 -1.20 113.55 113.83 3kqz h SER 516 Ca 0.24 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3kqz h SER 516 Cb 0.28 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3kqz h SER 516 CO -0.01 0.58 0.57 -1.28 -1.14 0.00 0.00 176.83 175.55 3kqz h SER 517 N 0.03 0.97 -0.52 3.07 0.87 0.25 -1.62 113.55 116.61 3kqz h SER 517 Ca -0.00 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 3kqz h SER 517 Cb 0.98 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 3kqz h SER 517 CO 0.07 0.69 0.02 0.11 -0.53 0.00 0.00 176.83 177.19 3kqz h LYS 518 N 1.14 0.95 0.00 2.24 6.56 -0.08 -0.72 116.57 126.66 3kqz h LYS 518 Ca 0.33 -0.27 -0.20 0.00 -1.06 0.00 0.00 60.65 59.45 3kqz h LYS 518 Cb -0.08 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.44 3kqz h LYS 518 CO -0.09 0.92 -1.44 1.79 -2.06 0.00 0.00 179.45 178.57 3kqz h THR 519 N 0.88 0.64 0.00 -0.16 1.35 -1.16 -3.24 112.91 111.21 3kqz h THR 519 Ca 0.17 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 3kqz h THR 519 Cb 0.49 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3kqz h THR 519 CO 0.02 0.36 -0.60 0.77 -0.25 0.00 0.00 175.52 175.82 3kqz h SER 520 N 0.00 0.00 -1.52 5.36 4.64 -1.34 -3.45 113.55 117.24 3kqz h SER 520 Ca -0.19 -0.15 -0.37 0.00 -0.47 0.00 0.00 61.79 60.61 3kqz h SER 520 Cb 1.70 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.69 3kqz h SER 520 CO 0.06 0.08 -0.39 0.59 -0.87 0.00 0.00 176.83 176.30 3kqz n ASN 521 N -2.26 -5.25 -4.36 4.97 3.02 -0.28 -4.83 115.26 106.26 3kqz n ASN 521 Ca 0.03 0.28 -0.44 0.00 -0.03 0.00 0.00 54.58 54.42 3kqz n ASN 521 Cb 0.46 -4.35 -0.07 0.00 -0.61 0.00 0.00 39.78 35.21 3kqz n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqz s GLU 522 N -4.06 2.94 0.22 3.52 2.02 -1.19 -4.85 118.70 117.29 3kqz s GLU 522 Ca 0.00 -1.43 -0.30 0.00 0.02 0.00 0.00 54.97 53.26 3kqz s GLU 522 Cb 0.00 -4.13 -0.09 0.00 0.10 0.00 0.00 34.13 30.02 3kqz s GLU 522 CO 0.00 -1.08 1.18 -1.25 0.02 0.00 0.00 175.26 174.13 3kqz s PRO 523 N 1.61 4.52 0.01 0.39 0.04 -1.26 -4.49 135.00 135.82 3kqz s PRO 523 Ca 0.04 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3kqz s PRO 523 Cb -0.25 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 3kqz s PRO 523 CO 0.05 -0.02 -0.02 0.08 0.04 0.00 0.00 177.00 177.14 3kqz s VAL 524 N -0.39 0.13 -0.03 -0.36 1.01 -1.26 -1.62 120.40 117.87 3kqz s VAL 524 Ca 0.50 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.11 3kqz s VAL 524 Cb -0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3kqz s VAL 524 CO 0.39 -0.19 -0.17 0.86 0.00 0.00 0.00 175.10 175.99 3kqz s TRP 525 N -0.62 1.61 0.01 5.22 -0.11 0.83 -4.88 118.94 121.00 3kqz s TRP 525 Ca -0.06 -0.40 -0.30 0.00 1.22 0.00 0.00 56.10 56.56 3kqz s TRP 525 Cb -0.04 -1.07 -0.05 0.00 -1.50 0.00 0.00 33.47 30.80 3kqz s TRP 525 CO -0.00 -0.10 1.36 -0.46 -4.62 0.00 0.00 176.95 173.12 3kqz s TRP 526 N -0.14 2.97 0.21 5.86 -0.00 -1.26 -1.47 118.94 125.10 3kqz s TRP 526 Ca 0.01 0.91 0.11 0.00 -0.00 0.00 0.00 56.10 57.12 3kqz s TRP 526 Cb -0.09 -3.62 -0.04 0.00 -0.00 0.00 0.00 33.47 29.71 3kqz s TRP 526 CO 0.01 -2.23 -0.22 -0.51 -0.00 0.00 0.00 176.95 174.01 3kqz s LEU 527 N 2.17 2.47 0.11 5.86 1.43 0.62 -4.89 118.68 126.45 3kqz s LEU 527 Ca 0.63 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 3kqz s LEU 527 Cb -0.31 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 44.79 3kqz s LEU 527 CO 0.26 0.06 0.39 -2.16 0.23 0.00 0.00 176.35 175.14 3kqz s PRO 528 N -2.91 3.70 -0.62 1.29 0.04 -1.26 -4.29 135.00 130.94 3kqz s PRO 528 Ca 0.22 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 61.12 3kqz s PRO 528 Cb -0.07 -2.93 0.09 0.00 0.04 0.00 0.00 34.50 31.64 3kqz s PRO 528 CO 0.10 0.52 0.81 0.42 0.04 0.00 0.00 177.00 178.89 3kqz s ILE 529 N -1.51 4.62 -0.40 0.56 1.01 -1.26 -4.79 121.20 119.43 3kqz s ILE 529 Ca 0.36 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.00 3kqz s ILE 529 Cb -0.13 -4.57 0.02 0.00 0.01 0.00 0.00 42.46 37.80 3kqz s ILE 529 CO 0.20 -1.26 1.10 -0.63 0.00 0.00 0.00 174.94 174.36 3kqz s ILE 530 N 3.24 4.36 0.35 2.92 1.01 -1.26 -4.93 121.20 126.90 3kqz s ILE 530 Ca 0.16 1.47 0.18 0.00 0.00 0.00 0.00 60.65 62.46 3kqz s ILE 530 Cb -0.21 -4.51 0.16 0.00 0.01 0.00 0.00 42.46 37.91 3kqz s ILE 530 CO 0.08 -0.75 1.89 0.78 0.00 0.00 0.00 174.94 176.94 3kqz h ASN 531 N 8.66 0.00 -0.02 3.58 2.35 -2.00 -2.35 115.58 125.80 3kqz h ASN 531 Ca -0.22 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3kqz h ASN 531 Cb 1.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 3kqz h ASN 531 CO 1.08 0.29 0.12 -0.33 -1.65 0.00 0.00 177.43 176.94 3kqz h GLU 532 N 0.00 0.00 0.00 0.81 3.07 -2.04 -2.14 114.58 114.28 3kqz h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kqz h GLU 532 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3kqz h GLU 532 CO 0.04 0.00 -0.65 1.88 -1.40 0.00 0.00 179.01 178.87 3kqz h TYR 533 N 0.00 0.00 -0.99 4.33 0.99 -1.84 -3.37 116.97 116.09 3kqz h TYR 533 Ca 0.01 0.00 0.30 0.00 2.00 0.00 0.00 58.73 61.04 3kqz h TYR 533 Cb 0.26 0.00 -0.18 0.00 1.00 0.00 0.00 36.73 37.80 3kqz h TYR 533 CO 0.00 0.00 0.12 -0.09 -0.00 0.00 0.00 178.16 178.19 3kqz h ARG 534 N 0.00 0.01 -0.01 4.88 9.65 -1.53 0.46 114.38 127.84 3kqz h ARG 534 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kqz h ARG 534 Cb 0.82 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3kqz h ARG 534 CO 0.00 0.01 0.06 0.00 2.80 0.00 0.00 179.97 182.84 3kqz h ALA 535 N 1.98 1.15 0.00 2.80 0.00 -1.79 0.25 119.26 123.65 3kqz h ALA 535 Ca 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3kqz h ALA 535 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3kqz h ALA 535 CO -0.89 -0.07 0.00 0.25 0.00 0.00 0.00 179.25 178.54 3kqz n THR 536 N -3.17 0.58 0.33 0.00 -2.24 0.15 -2.16 114.28 107.77 3kqz n THR 536 Ca -0.03 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 3kqz n THR 536 Cb 0.13 -0.79 0.23 0.00 -2.10 0.00 0.00 70.33 67.80 3kqz n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqz n LEU 537 N -1.87 2.83 -4.52 3.22 4.77 0.87 -4.55 117.00 117.74 3kqz n LEU 537 Ca 0.05 -1.41 -0.42 0.00 -0.03 0.00 0.00 56.01 54.19 3kqz n LEU 537 Cb 0.30 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3kqz n LEU 537 CO 0.23 0.69 1.01 0.20 -1.33 0.00 0.00 177.39 178.19 3kqz s ASN 538 N -0.99 6.19 0.46 -1.43 0.01 -0.92 0.43 114.94 118.70 3kqz s ASN 538 Ca 0.35 -0.58 -0.22 0.00 -0.71 0.00 0.00 52.86 51.69 3kqz s ASN 538 Cb 0.18 -2.51 -0.08 0.00 0.41 0.00 0.00 41.25 39.26 3kqz s ASN 538 CO 0.23 -1.65 1.10 -0.55 -1.51 0.00 0.00 177.10 174.72 3kqz s SER 539 N 3.62 6.31 0.32 -1.22 0.15 -1.26 -4.83 113.70 116.79 3kqz s SER 539 Ca 0.31 2.13 0.06 0.00 0.70 0.00 0.00 55.95 59.14 3kqz s SER 539 Cb -0.11 -2.59 0.56 0.00 -1.71 0.00 0.00 66.02 62.17 3kqz s SER 539 CO 0.14 -0.81 1.80 0.50 1.20 0.00 0.00 173.24 176.07 3kqz h LYS 540 N 1.95 0.37 0.00 5.44 1.63 -1.96 -3.40 116.57 120.60 3kqz h LYS 540 Ca -0.49 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.16 3kqz h LYS 540 Cb 1.23 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3kqz h LYS 540 CO 0.60 0.56 -1.10 0.66 -3.45 0.00 0.00 179.45 176.72 3kqz n TYR 541 N -4.17 0.00 -2.55 1.91 4.01 -1.26 -5.05 117.16 110.05 3kqz n TYR 541 Ca -0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 3kqz n TYR 541 Cb 0.35 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.39 3kqz n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ALA 542 N -2.04 3.70 0.23 -0.72 0.00 -1.26 -4.97 121.76 116.70 3kqz s ALA 542 Ca -0.02 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 3kqz s ALA 542 Cb 0.01 -2.14 0.37 0.00 0.00 0.00 0.00 23.12 21.37 3kqz s ALA 542 CO 0.04 -1.12 1.78 -0.44 0.00 0.00 0.00 175.76 176.03 3kqz h ASP 543 N -0.27 0.52 -4.46 0.00 3.32 -1.80 -3.38 116.42 110.34 3kqz h ASP 543 Ca -0.40 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.58 3kqz h ASP 543 Cb 1.29 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 40.59 3kqz h ASP 543 CO 0.49 0.29 -0.28 -0.51 -1.72 0.00 0.00 179.24 177.51 3kqz s ILE 544 N -6.04 0.03 0.35 0.35 2.07 -0.40 -4.37 121.20 113.19 3kqz s ILE 544 Ca -0.12 -0.25 -0.25 0.00 -1.41 0.00 0.00 60.65 58.62 3kqz s ILE 544 Cb 0.19 -0.56 -0.10 0.00 0.13 0.00 0.00 42.46 42.12 3kqz s ILE 544 CO 0.77 -0.13 0.98 0.20 -1.91 0.00 0.00 174.94 174.84 3kqz s ASN 545 N -0.62 7.13 0.26 4.50 0.01 0.17 -0.74 114.94 125.66 3kqz s ASN 545 Ca -0.07 1.89 0.02 0.00 -0.71 0.00 0.00 52.86 53.99 3kqz s ASN 545 Cb -0.04 -2.58 0.36 0.00 0.41 0.00 0.00 41.25 39.40 3kqz s ASN 545 CO 0.03 -0.22 1.68 -0.61 -1.51 0.00 0.00 177.10 176.47 3kqz h GLN 546 N 2.88 0.49 -4.06 -0.60 4.15 -1.24 -3.46 115.11 113.26 3kqz h GLN 546 Ca -0.47 -0.20 -0.11 0.00 0.77 0.00 0.00 58.65 58.63 3kqz h GLN 546 Cb 1.20 -0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.72 3kqz h GLN 546 CO 0.64 0.74 -0.54 0.96 -1.93 0.00 0.00 178.83 178.70 3kqz s ILE 547 N -4.40 0.18 0.26 2.39 -4.36 -1.26 -4.92 121.20 109.09 3kqz s ILE 547 Ca -0.07 -1.54 -0.20 0.00 -0.26 0.00 0.00 60.65 58.58 3kqz s ILE 547 Cb 0.13 -1.49 -0.09 0.00 1.25 0.00 0.00 42.46 42.26 3kqz s ILE 547 CO 0.80 -0.80 0.76 -0.55 0.24 0.00 0.00 174.94 175.39 3kqz s SER 548 N -2.91 7.04 0.01 4.36 0.15 -1.26 -4.80 113.70 116.29 3kqz s SER 548 Ca 0.08 1.45 0.22 0.00 0.70 0.00 0.00 55.95 58.40 3kqz s SER 548 Cb 0.06 -2.43 -0.14 0.00 -1.71 0.00 0.00 66.02 61.80 3kqz s SER 548 CO -0.09 -0.03 0.84 -1.54 1.20 0.00 0.00 173.24 173.62 3kqz n SER 549 N 0.49 0.58 0.00 5.45 3.41 -1.26 -4.70 113.62 117.58 3kqz n SER 549 Ca -0.01 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 3kqz n SER 549 Cb 0.51 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 3kqz n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqz n SER 550 N -1.89 0.00 -4.67 4.04 3.41 -1.26 -4.99 113.62 108.26 3kqz n SER 550 Ca 0.01 0.08 -0.53 0.00 -0.26 0.00 0.00 58.87 58.17 3kqz n SER 550 Cb 0.44 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 3kqz n SER 550 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kqz n VAL 551 N -2.30 0.28 0.88 -3.33 0.31 -1.26 -4.87 118.33 108.04 3kqz n VAL 551 Ca 0.00 -0.05 0.13 0.00 -0.01 0.00 0.00 64.34 64.41 3kqz n VAL 551 Cb 0.00 -1.34 0.45 0.00 -0.91 0.00 0.00 33.84 32.05 3kqz n VAL 551 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kqz n LYS 552 N 4.87 0.09 -1.73 5.55 4.01 -1.26 -4.59 118.16 125.09 3kqz n LYS 552 Ca 0.23 0.05 -0.42 0.00 -0.51 0.00 0.00 58.31 57.66 3kqz n LYS 552 Cb 0.20 -1.58 -0.00 0.00 -0.51 0.00 0.00 35.03 33.14 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqz n ALA 553 N -1.59 5.49 -0.24 7.82 0.00 -1.26 -4.78 120.51 125.95 3kqz n ALA 553 Ca 0.06 -3.87 0.04 0.00 0.00 0.00 0.00 53.44 49.67 3kqz n ALA 553 Cb 0.37 -3.54 0.17 0.00 0.00 0.00 0.00 19.45 16.44 3kqz n ALA 553 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kqz h SER 554 N 6.05 0.15 -0.57 0.00 0.02 -1.97 -0.73 113.55 116.50 3kqz h SER 554 Ca 0.57 0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.54 3kqz h SER 554 Cb 0.64 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3kqz h SER 554 CO 1.89 0.05 0.01 0.28 -1.14 0.00 0.00 176.83 177.91 3kqz h SER 555 N 0.36 0.99 -0.03 3.07 0.02 -1.93 0.14 113.55 116.18 3kqz h SER 555 Ca 0.39 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3kqz h SER 555 Cb 0.61 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3kqz h SER 555 CO -0.43 1.04 -0.01 0.40 -1.14 0.00 0.00 176.83 176.70 3kqz h ILE 556 N 0.94 1.30 -0.80 3.27 2.04 -1.63 -1.61 117.51 121.01 3kqz h ILE 556 Ca 0.17 -0.89 0.10 0.00 1.00 0.00 0.00 64.86 65.23 3kqz h ILE 556 Cb 0.53 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 3kqz h ILE 556 CO 0.03 0.24 0.45 0.58 0.00 0.00 0.00 178.15 179.45 3kqz h VAL 557 N -0.31 0.89 -0.29 1.67 2.07 -0.89 0.63 116.25 120.02 3kqz h VAL 557 Ca 0.01 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 3kqz h VAL 557 Cb 0.39 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3kqz h VAL 557 CO 0.00 0.14 -0.35 0.00 0.02 0.00 0.00 177.57 177.38 3kqz h ALA 558 N 1.45 0.84 -0.71 1.67 0.00 -0.64 -0.48 119.26 121.39 3kqz h ALA 558 Ca 0.39 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kqz h ALA 558 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kqz h ALA 558 CO -0.25 0.64 0.44 0.77 0.00 0.00 0.00 179.25 180.84 3kqz h SER 559 N 0.55 0.84 -0.57 0.00 0.02 -0.26 -0.28 113.55 113.85 3kqz h SER 559 Ca 0.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3kqz h SER 559 Cb 0.86 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 3kqz h SER 559 CO 0.07 0.65 0.32 -0.07 -1.14 0.00 0.00 176.83 176.66 3kqz h LEU 560 N 0.96 0.73 -0.02 5.07 3.38 -0.32 0.04 115.31 125.15 3kqz h LEU 560 Ca 0.25 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kqz h LEU 560 Cb -0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kqz h LEU 560 CO -0.05 0.60 0.00 0.15 0.09 0.00 0.00 178.44 179.23 3kqz h PHE 561 N 0.83 0.03 -0.93 1.13 3.04 -0.45 -2.88 116.94 117.71 3kqz h PHE 561 Ca 0.21 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.20 3kqz h PHE 561 Cb 0.04 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.48 3kqz h PHE 561 CO 0.01 0.31 0.60 -0.07 -2.02 0.00 0.00 178.31 177.14 3kqz h LEU 562 N -0.26 0.99 -1.93 0.59 3.38 -0.88 -2.06 115.31 115.15 3kqz h LEU 562 Ca 0.01 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kqz h LEU 562 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kqz h LEU 562 CO 0.00 0.67 0.09 0.50 0.09 0.00 0.00 178.44 179.79 3kqz h LYS 563 N 1.15 0.09 0.00 1.13 3.64 -0.80 0.15 116.57 121.93 3kqz h LYS 563 Ca 0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3kqz h LYS 563 Cb 0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3kqz h LYS 563 CO -0.13 0.06 0.10 0.93 -2.27 0.00 0.00 179.45 178.14 3kqz h GLU 564 N 0.10 0.00 -0.41 1.90 4.39 -1.16 -2.74 114.58 116.65 3kqz h GLU 564 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3kqz h GLU 564 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3kqz h GLU 564 CO -0.01 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.03 3kqz n PHE 565 N -2.75 0.53 -3.99 4.33 3.01 0.04 -4.79 117.46 113.84 3kqz n PHE 565 Ca -0.02 -0.35 -0.30 0.00 1.01 0.00 0.00 57.45 57.79 3kqz n PHE 565 Cb 0.15 -0.01 -0.16 0.00 -0.01 0.00 0.00 39.48 39.45 3kqz n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqz s VAL 566 N -1.16 1.54 -0.13 -4.37 1.01 -1.03 -3.98 120.40 112.27 3kqz s VAL 566 Ca 0.33 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3kqz s VAL 566 Cb 0.19 -1.56 -0.25 0.00 0.00 0.00 0.00 36.38 34.75 3kqz s VAL 566 CO 0.25 0.27 0.36 1.56 0.00 0.00 0.00 175.10 177.55 3kqz h GLN 567 N 8.02 0.22 0.00 2.72 1.08 -1.87 -3.44 115.11 121.84 3kqz h GLN 567 Ca -0.31 -0.37 -0.07 0.00 -1.45 0.00 0.00 58.65 56.45 3kqz h GLN 567 Cb 1.11 0.14 -0.13 0.00 -0.05 0.00 0.00 27.48 28.55 3kqz h GLN 567 CO 0.48 1.18 -0.60 -1.71 -0.95 0.00 0.00 178.83 177.23 3kqz n ASN 568 N -3.72 0.25 -4.05 1.46 5.15 -1.26 -5.07 115.26 108.01 3kqz n ASN 568 Ca -0.31 -1.89 -0.22 0.00 -0.60 0.00 0.00 54.58 51.56 3kqz n ASN 568 Cb 0.96 -0.18 -0.15 0.00 -0.53 0.00 0.00 39.78 39.88 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqz s THR 569 N 0.00 0.97 -0.07 -0.44 2.01 -1.26 -5.09 115.64 111.76 3kqz s THR 569 Ca 0.11 -0.48 -0.36 0.00 0.31 0.00 0.00 61.69 61.26 3kqz s THR 569 Cb 0.12 -0.83 -0.14 0.00 0.01 0.00 0.00 72.50 71.66 3kqz s THR 569 CO -0.05 0.29 1.73 0.00 -0.69 0.00 0.00 174.62 175.89 3kqz n ALA 570 N 3.09 0.45 -2.99 7.40 0.00 -1.26 -4.89 120.51 122.32 3kqz n ALA 570 Ca -0.17 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 3kqz n ALA 570 Cb 0.54 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 3kqz n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kqz s TRP 571 N 2.95 -0.02 0.05 0.00 -0.00 -1.26 -1.53 118.94 119.13 3kqz s TRP 571 Ca 0.91 0.06 -0.06 0.00 -0.00 0.00 0.00 56.10 57.00 3kqz s TRP 571 Cb -0.82 -0.02 -0.01 0.00 -0.00 0.00 0.00 33.47 32.62 3kqz s TRP 571 CO 0.52 -0.11 0.11 0.00 -0.00 0.00 0.00 176.95 177.47 3kqz s ALA 572 N -0.45 -0.04 -0.05 5.86 0.00 0.02 -1.16 121.76 125.94 3kqz s ALA 572 Ca -0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 3kqz s ALA 572 Cb -0.03 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.43 3kqz s ALA 572 CO 0.00 -0.37 0.08 -1.58 0.00 0.00 0.00 175.76 173.89 3kqz s HIS 573 N -3.08 -0.00 -0.28 0.00 2.46 0.61 -0.68 115.29 114.31 3kqz s HIS 573 Ca -0.01 0.34 -0.04 0.00 0.47 0.00 0.00 55.06 55.82 3kqz s HIS 573 Cb 0.02 -0.41 0.03 0.00 -0.13 0.00 0.00 32.58 32.09 3kqz s HIS 573 CO -0.07 -0.20 0.01 0.42 -2.47 0.00 0.00 174.74 172.43 3kqz s ILE 574 N 2.11 3.29 -0.41 0.89 1.01 0.37 -0.60 121.20 127.86 3kqz s ILE 574 Ca 0.03 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 3kqz s ILE 574 Cb -0.12 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3kqz s ILE 574 CO -0.04 0.07 0.59 -0.62 0.00 0.00 0.00 174.94 174.94 3kqz s ASP 575 N 1.37 6.32 -0.07 3.58 -1.08 0.98 -1.64 116.67 126.12 3kqz s ASP 575 Ca -0.00 -0.27 0.14 0.00 -0.52 0.00 0.00 52.55 51.90 3kqz s ASP 575 Cb -0.18 -2.30 0.46 0.00 -1.46 0.00 0.00 42.92 39.45 3kqz s ASP 575 CO -0.01 -0.67 1.38 2.30 0.52 0.00 0.00 175.17 178.69 3kqz n ILE 576 N 5.68 1.50 -0.30 4.11 -5.35 0.19 -2.43 119.36 122.75 3kqz n ILE 576 Ca -0.03 -1.27 0.12 0.00 -0.27 0.00 0.00 62.75 61.30 3kqz n ILE 576 Cb 0.48 0.23 0.29 0.00 -1.74 0.00 0.00 39.64 38.90 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 2.45 1.41 0.00 -1.28 0.00 -1.83 -0.53 119.26 119.47 3kqz h ALA 577 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3kqz h ALA 577 Cb 1.07 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kqz h ALA 577 CO 0.10 -0.29 -0.52 0.78 0.00 0.00 0.00 179.25 179.31 3kqz h GLY 578 N 0.44 0.00 0.00 0.00 0.00 -1.82 -3.38 103.07 98.32 3kqz h GLY 578 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3kqz h GLY 578 CO -0.50 0.00 -1.01 3.33 0.00 0.00 0.00 176.54 178.36 3kqz n VAL 579 N -2.93 0.00 -0.01 4.60 0.24 -0.65 -4.08 118.33 115.50 3kqz n VAL 579 Ca 0.01 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.34 62.01 3kqz n VAL 579 Cb 0.57 0.67 0.13 0.00 -1.47 0.00 0.00 33.84 33.74 3kqz n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqz h SER 580 N 0.00 0.60 -3.35 -1.34 0.87 -1.32 -3.42 113.55 105.59 3kqz h SER 580 Ca 0.00 -0.24 -0.65 0.00 -1.23 0.00 0.00 61.79 59.67 3kqz h SER 580 Cb 0.42 -0.17 -0.26 0.00 -0.44 0.00 0.00 62.40 61.96 3kqz h SER 580 CO 0.00 0.89 -0.72 0.86 -0.53 0.00 0.00 176.83 177.33 3kqz s TRP 581 N -4.37 2.93 -0.68 2.24 -0.11 -1.26 -0.45 118.94 117.23 3kqz s TRP 581 Ca -0.08 -0.67 -0.23 0.00 1.22 0.00 0.00 56.10 56.34 3kqz s TRP 581 Cb 0.13 -1.98 0.06 0.00 -1.50 0.00 0.00 33.47 30.18 3kqz s TRP 581 CO 0.82 -0.30 1.03 1.21 -4.62 0.00 0.00 176.95 175.08 3kqz s ASN 582 N 0.82 6.18 0.15 5.86 3.84 0.22 -4.88 114.94 127.12 3kqz s ASN 582 Ca -0.02 -0.91 -0.14 0.00 0.21 0.00 0.00 52.86 52.00 3kqz s ASN 582 Cb -0.15 -2.45 0.03 0.00 -0.55 0.00 0.00 41.25 38.13 3kqz s ASN 582 CO 0.01 -1.51 1.67 -0.26 -2.79 0.00 0.00 177.10 174.22 3kqz h PHE 583 N 9.65 0.79 -0.77 0.43 -1.00 -1.97 0.39 116.94 124.47 3kqz h PHE 583 Ca -0.28 -0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.47 3kqz h PHE 583 Cb 1.07 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 40.34 3kqz h PHE 583 CO 1.00 0.70 0.46 0.87 -1.61 0.00 0.00 178.31 179.74 3kqz h LYS 584 N 0.66 0.83 -0.01 1.51 6.56 -1.95 -2.96 116.57 121.21 3kqz h LYS 584 Ca 0.16 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3kqz h LYS 584 Cb 0.29 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 3kqz h LYS 584 CO -0.00 0.55 -0.55 0.00 -2.06 0.00 0.00 179.45 177.39 3kqz n ALA 585 N -2.35 3.71 -3.63 3.86 0.00 -0.97 -4.96 120.51 116.19 3kqz n ALA 585 Ca 0.10 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 3kqz n ALA 585 Cb 0.16 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.70 3kqz n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqz n ARG 586 N -0.98 -6.87 -3.90 0.00 1.74 0.13 -4.99 116.66 101.79 3kqz n ARG 586 Ca 0.08 0.77 -0.10 0.00 -0.77 0.00 0.00 57.85 57.82 3kqz n ARG 586 Cb 0.36 -5.73 -0.00 0.00 -1.02 0.00 0.00 32.46 26.07 3kqz n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqz s LYS 587 N -6.10 2.06 0.63 5.56 -2.85 -1.00 -5.02 119.74 113.02 3kqz s LYS 587 Ca 0.39 -1.47 -0.10 0.00 -1.00 0.00 0.00 55.97 53.80 3kqz s LYS 587 Cb -0.18 0.57 -0.02 0.00 -2.06 0.00 0.00 37.83 36.13 3kqz s LYS 587 CO 0.76 -0.93 1.02 -2.14 0.10 0.00 0.00 175.35 174.16 3kqz s PRO 588 N -2.79 3.37 0.14 1.78 0.02 -1.26 0.69 135.00 136.95 3kqz s PRO 588 Ca 0.19 0.59 0.21 0.00 0.02 0.00 0.00 61.00 62.01 3kqz s PRO 588 Cb -0.04 -2.10 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 3kqz s PRO 588 CO 0.13 -0.66 0.91 1.63 -0.33 0.00 0.00 177.00 178.68 3kqz n LYS 589 N -2.76 0.62 -1.92 5.54 5.02 0.40 -4.66 118.16 120.39 3kqz n LYS 589 Ca 0.06 0.11 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 3kqz n LYS 589 Cb 0.55 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 3kqz n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 590 N 1.25 0.63 3.66 0.72 0.00 -1.26 -4.92 105.19 105.27 3kqz n GLY 590 Ca -0.03 -0.20 -0.47 0.00 0.00 0.00 0.00 46.02 45.32 3kqz n GLY 590 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kqz n PHE 591 N -3.30 2.19 0.00 1.61 7.35 -1.26 -2.90 117.46 121.15 3kqz n PHE 591 Ca -0.18 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 3kqz n PHE 591 Cb 0.60 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.90 3kqz n PHE 591 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kqz n GLY 592 N 3.43 1.58 0.12 7.13 0.00 -1.26 -4.74 105.19 111.45 3kqz n GLY 592 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3kqz n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 593 N 0.00 0.82 -0.06 1.61 2.07 -1.73 0.15 116.25 119.11 3kqz h VAL 593 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 3kqz h VAL 593 Cb 0.00 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3kqz h VAL 593 CO 0.00 0.00 -0.61 0.03 0.02 0.00 0.00 177.57 177.01 3kqz h ARG 594 N -0.14 0.22 0.23 1.57 3.08 -1.89 -1.05 114.38 116.40 3kqz h ARG 594 Ca 0.02 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3kqz h ARG 594 Cb 0.16 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3kqz h ARG 594 CO -0.06 0.76 -0.13 1.25 -1.07 0.00 0.00 179.97 180.72 3kqz h LEU 595 N 0.16 -0.32 -1.06 3.04 5.85 -1.78 -0.81 115.31 120.39 3kqz h LEU 595 Ca -0.01 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3kqz h LEU 595 Cb 1.11 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3kqz h LEU 595 CO 0.09 -0.21 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.66 3kqz h LEU 596 N -0.34 0.36 -0.28 2.25 3.38 -0.59 -1.31 115.31 118.78 3kqz h LEU 596 Ca -0.03 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 3kqz h LEU 596 Cb 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kqz h LEU 596 CO 0.03 0.61 -0.75 0.74 0.09 0.00 0.00 178.44 179.16 3kqz h THR 597 N 0.32 1.32 -0.39 0.22 2.02 -1.04 -1.44 112.91 113.93 3kqz h THR 597 Ca 0.05 -2.05 -0.07 0.00 0.77 0.00 0.00 66.41 65.11 3kqz h THR 597 Cb 0.62 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 3kqz h THR 597 CO 0.04 0.63 -0.05 -0.33 0.37 0.00 0.00 175.52 176.19 3kqz h GLU 598 N 0.42 0.66 -0.34 6.66 4.39 -1.02 -0.54 114.58 124.82 3kqz h GLU 598 Ca -0.04 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.49 3kqz h GLU 598 Cb 1.36 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 3kqz h GLU 598 CO 0.14 0.71 0.20 0.35 -1.16 0.00 0.00 179.01 179.25 3kqz h PHE 599 N 0.61 0.38 -0.52 4.33 3.57 -0.90 -1.85 116.94 122.56 3kqz h PHE 599 Ca 0.12 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3kqz h PHE 599 Cb 0.46 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3kqz h PHE 599 CO 0.02 0.22 0.14 0.28 -2.23 0.00 0.00 178.31 176.74 3kqz h VAL 600 N 0.41 1.24 0.05 1.41 2.07 -0.68 -3.32 116.25 117.44 3kqz h VAL 600 Ca 0.13 -0.83 -0.24 0.00 0.82 0.00 0.00 66.70 66.57 3kqz h VAL 600 Cb -0.00 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3kqz h VAL 600 CO -0.06 0.30 -1.17 -0.07 0.02 0.00 0.00 177.57 176.60 3kqz h LEU 601 N 0.72 0.17 -0.67 2.57 4.07 -0.99 -3.50 115.31 117.67 3kqz h LEU 601 Ca 0.16 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3kqz h LEU 601 Cb 0.32 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3kqz h LEU 601 CO -0.00 1.15 0.00 0.59 -1.08 0.00 0.00 178.44 179.10